3-[dimethyl-(2-tetradecylphenyl)azaniumyl]-3-methyl-butane-1-sulfonate

Systemtic Name: 3-[dimethyl-(2-tetradecylphenyl)azaniumyl]-3-methyl-butane-1-sulfonate Openeye Name: 3-[dimethyl-(2-tetradecylphenyl)ammonio]-3-methyl-butane-1-sulfonate CAS Name: 3-[dimethyl-(2-tetradecylphenyl)ammonio]-3-methyl-1-butanesulfonate IUPAC Name: 3-[dimethyl-(2-tetradecylphenyl)azaniumyl]-3-methylbutane-1-sulfonate Traditional Name: 3-[dimethyl-(2-myristylphenyl)ammonio]-3-methyl-butane-1-sulfonate Formula: C27H49NO3S MolecularWeight: 467.74786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC=CC=C1[N+](C)(C)C(C)(C)CCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC=CC=C1[N+](C)(C)C(C)(C)CCS(=O)(=O)[O-]

InChI

InChI=1S/C27H49NO3S/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-25-21-18-19-22-26(25)28(4,5)27(2,3)23-24-32(29,30)31/h18-19,21-22H,6-17,20,23-24H2,1-5H3