NSB

N,N,N-TRIMETHYL-3-SULFOPROPAN-1-AMINIUM

Created:	2005-08-04
Last modified:	2011-06-04

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1 entries where NSB is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	27
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	0

2D diagram of NSB

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Chemical Component Summary
Name	N,N,N-TRIMETHYL-3-SULFOPROPAN-1-AMINIUM
Systematic Name (OpenEye OEToolkits)	trimethyl-(3-sulfopropyl)azanium
Formula	C₆ H₁₆ N O₃ S
Molecular Weight	182.261
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(O)CCC[N+](C)(C)C
SMILES	CACTVS	3.341	C[N+](C)(C)CCC[S](O)(=O)=O
SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)CCCS(=O)(=O)O
Canonical SMILES	CACTVS	3.341	C[N+](C)(C)CCC[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[N+](C)(C)CCCS(=O)(=O)O
InChI	InChI	1.03	InChI=1S/C6H15NO3S/c1-7(2,3)5-4-6-11(8,9)10/h4-6H2,1-3H3/p+1
InChIKey	InChI	1.03	WFJHXXPYPMNRPK-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	30838, 101248025

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.