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

Systemtic Name: dimethyl-[3-(octadecanoylamino)propyl]-[(4-sulfophenyl)methyl]azanium Openeye Name: dimethyl-[3-(octadecanoylamino)propyl]-[(4-sulfophenyl)methyl]ammonium CAS Name: dimethyl-[3-(1-oxooctadecylamino)propyl]-[(4-sulfophenyl)methyl]ammonium IUPAC Name: dimethyl-[3-(octadecanoylamino)propyl]-[(4-sulfophenyl)methyl]azanium Traditional Name: dimethyl-(3-stearamidopropyl)-(4-sulfobenzyl)ammonium Formula: C30H55N2O4S+ MolecularWeight: 539.8337

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30(33)31-25-19-26-32(2,3)27-28-21-23-29(24-22-28)37(34,35)36/h21-24H,4-20,25-27H2,1-3H3,(H-,31,33,34,35,36)/p+1