NDB

N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium

Created:	2009-10-21
Last modified:	2011-06-04

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2 entries where NDB is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	31
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	0

2D diagram of NDB

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Chemical Component Summary
Name	N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium
Systematic Name (OpenEye OEToolkits)	2-hydroxyethyl-dimethyl-(3-sulfopropyl)azanium
Formula	C₇ H₁₈ N O₄ S
Molecular Weight	212.287
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=S(=O)(O)CCC[N+](C)(CCO)C
SMILES	CACTVS	3.352	C[N+](C)(CCO)CCC[S](O)(=O)=O
SMILES	OpenEye OEToolkits	1.7.0	C[N+](C)(CCCS(=O)(=O)O)CCO
Canonical SMILES	CACTVS	3.352	C[N+](C)(CCO)CCC[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C[N+](C)(CCCS(=O)(=O)O)CCO
InChI	InChI	1.03	InChI=1S/C7H17NO4S/c1-8(2,5-6-9)4-3-7-13(10,11)12/h9H,3-7H2,1-2H3/p+1
InChIKey	InChI	1.03	CNXPCGBLGHKAIL-UHFFFAOYSA-O

Related Resource References

Resource Name	Reference
PubChem	102269415, 3016020

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