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

Systemtic Name: 3-[3-(4-hexylphenyl)propyl-dimethyl-azaniumyl]propane-1-sulfonate Openeye Name: 3-[3-(4-hexylphenyl)propyl-dimethyl-ammonio]propane-1-sulfonate CAS Name: 3-[3-(4-hexylphenyl)propyl-dimethylammonio]-1-propanesulfonate IUPAC Name: 3-[3-(4-hexylphenyl)propyl-dimethylazaniumyl]propane-1-sulfonate Traditional Name: 3-[3-(4-hexylphenyl)propyl-dimethyl-ammonio]propane-1-sulfonate Formula: C20H35NO3S MolecularWeight: 369.5618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35NO3S/c1-4-5-6-7-10-19-12-14-20(15-13-19)11-8-16-21(2,3)17-9-18-25(22,23)24/h12-15H,4-11,16-18H2,1-3H3