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

Systemtic Name: dimethyl-[(4-sulfophenyl)methyl]-[3-(tetradecanoylamino)propyl]azanium Openeye Name: dimethyl-[(4-sulfophenyl)methyl]-[3-(tetradecanoylamino)propyl]ammonium CAS Name: dimethyl-[3-(1-oxotetradecylamino)propyl]-[(4-sulfophenyl)methyl]ammonium IUPAC Name: dimethyl-[(4-sulfophenyl)methyl]-[3-(tetradecanoylamino)propyl]azanium Traditional Name: dimethyl-(4-sulfobenzyl)-[3-(tetradecanoylamino)propyl]ammonium Formula: C26H47N2O4S+ MolecularWeight: 483.72738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H46N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-16-26(29)27-21-15-22-28(2,3)23-24-17-19-25(20-18-24)33(30,31)32/h17-20H,4-16,21-23H2,1-3H3,(H-,27,29,30,31,32)/p+1