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3-(dodecanoylamino)propyl-dimethyl-[(4-sulfophenyl)methyl]azanium

3-(dodecanoylamino)propyl-dimethyl-[(4-sulfophenyl)methyl]azanium

Systemtic Name:3-(dodecanoylamino)propyl-dimethyl-[(4-sulfophenyl)methyl]azanium
Openeye Name:3-(dodecanoylamino)propyl-dimethyl-[(4-sulfophenyl)methyl]ammonium
CAS Name:dimethyl-[3-(1-oxododecylamino)propyl]-[(4-sulfophenyl)methyl]ammonium
IUPAC Name:3-(dodecanoylamino)propyl-dimethyl-[(4-sulfophenyl)methyl]azanium
Traditional Name:3-(lauroylamino)propyl-dimethyl-(4-sulfobenzyl)ammonium
Formula: C24H43N2O4S+
MolecularWeight: 455.67422
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=C(C=C1)S(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=C(C=C1)S(=O)(=O)O


InChI

InChI=1S/C24H42N2O4S/c1-4-5-6-7-8-9-10-11-12-14-24(27)25-19-13-20-26(2,3)21-22-15-17-23(18-16-22)31(28,29)30/h15-18H,4-14,19-21H2,1-3H3,(H-,25,27,28,29,30)/p+1


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