4-[dimethyl(1-phenyltridecyl)azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[dimethyl(1-phenyltridecyl)azaniumyl]butane-1-sulfonate Openeye Name: 4-[dimethyl(1-phenyltridecyl)ammonio]butane-1-sulfonate CAS Name: 4-[dimethyl(1-phenyltridecyl)ammonio]-1-butanesulfonate IUPAC Name: 4-[dimethyl(1-phenyltridecyl)azaniumyl]butane-1-sulfonate Traditional Name: 4-[dimethyl(1-phenyltridecyl)ammonio]butane-1-sulfonate Formula: C25H45NO3S MolecularWeight: 439.6947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H45NO3S/c1-4-5-6-7-8-9-10-11-12-16-21-25(24-19-14-13-15-20-24)26(2,3)22-17-18-23-30(27,28)29/h13-15,19-20,25H,4-12,16-18,21-23H2,1-3H3