dodecyl-dimethyl-(phenylmethyl)azanium; methanesulfonate

Systemtic Name: dodecyl-dimethyl-(phenylmethyl)azanium; methanesulfonate Openeye Name: benzyl-dodecyl-dimethyl-ammonium; methanesulfonate CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium; methanesulfonate IUPAC Name: benzyl-dodecyl-dimethylazanium; methanesulfonate Traditional Name: benzyl-lauryl-dimethyl-ammonium mesylate Formula: C22H41NO3S MolecularWeight: 399.63084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CS(=O)(=O)[O-]

InChI

InChI=1S/C21H38N.CH4O3S/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;1-5(2,3)4/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1