hexadecyl-dimethyl-(phenylmethyl)azanium; methanesulfonic acid

Systemtic Name: hexadecyl-dimethyl-(phenylmethyl)azanium; methanesulfonic acid Openeye Name: benzyl-hexadecyl-dimethyl-ammonium; methanesulfonic acid CAS Name: hexadecyl-dimethyl-(phenylmethyl)ammonium; methanesulfonic acid IUPAC Name: benzyl-hexadecyl-dimethylazanium; methanesulfonic acid Traditional Name: benzyl-cetyl-dimethyl-ammonium; mesylic acid Formula: C26H50NO3S+ MolecularWeight: 456.7451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H46N.CH4O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;1-5(2,3)4/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H3,(H,2,3,4)/q+1;