4-[3-(4-hexylphenyl)propyl-dimethyl-azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[3-(4-hexylphenyl)propyl-dimethyl-azaniumyl]butane-1-sulfonate Openeye Name: 4-[3-(4-hexylphenyl)propyl-dimethyl-ammonio]butane-1-sulfonate CAS Name: 4-[3-(4-hexylphenyl)propyl-dimethylammonio]-1-butanesulfonate IUPAC Name: 4-[3-(4-hexylphenyl)propyl-dimethylazaniumyl]butane-1-sulfonate Traditional Name: 4-[3-(4-hexylphenyl)propyl-dimethyl-ammonio]butane-1-sulfonate Formula: C21H37NO3S MolecularWeight: 383.58838

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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