3-[dimethyl(1-phenyltridecyl)azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[dimethyl(1-phenyltridecyl)azaniumyl]propane-1-sulfonate Openeye Name: 3-[dimethyl(1-phenyltridecyl)ammonio]propane-1-sulfonate CAS Name: 3-[dimethyl(1-phenyltridecyl)ammonio]-1-propanesulfonate IUPAC Name: 3-[dimethyl(1-phenyltridecyl)azaniumyl]propane-1-sulfonate Traditional Name: 3-[dimethyl(1-phenyltridecyl)ammonio]propane-1-sulfonate Formula: C24H43NO3S MolecularWeight: 425.66812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H43NO3S/c1-4-5-6-7-8-9-10-11-12-16-20-24(23-18-14-13-15-19-23)25(2,3)21-17-22-29(26,27)28/h13-15,18-19,24H,4-12,16-17,20-22H2,1-3H3