3-(4-hexylphenyl)propyl-dimethyl-(4-sulfobutyl)azanium

Systemtic Name: 3-(4-hexylphenyl)propyl-dimethyl-(4-sulfobutyl)azanium Openeye Name: 3-(4-hexylphenyl)propyl-dimethyl-(4-sulfobutyl)ammonium CAS Name: 3-(4-hexylphenyl)propyl-dimethyl-(4-sulfobutyl)ammonium IUPAC Name: 3-(4-hexylphenyl)propyl-dimethyl-(4-sulfobutyl)azanium Traditional Name: 3-(4-hexylphenyl)propyl-dimethyl-(4-sulfobutyl)ammonium Formula: C21H38NO3S+ MolecularWeight: 384.59632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)CCC[N+](C)(C)CCCCS(=O)(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)CCC[N+](C)(C)CCCCS(=O)(=O)O

InChI

InChI=1S/C21H37NO3S/c1-4-5-6-7-11-20-13-15-21(16-14-20)12-10-18-22(2,3)17-8-9-19-26(23,24)25/h13-16H,4-12,17-19H2,1-3H3/p+1