dimethyl-octadecyl-phenethyl-azanium; methanesulfonic acid

Systemtic Name: dimethyl-octadecyl-phenethyl-azanium; methanesulfonic acid Openeye Name: dimethyl-octadecyl-phenethyl-ammonium; methanesulfonic acid CAS Name: dimethyl-octadecyl-phenethylammonium; methanesulfonic acid IUPAC Name: dimethyl-octadecyl-phenethylazanium; methanesulfonic acid Traditional Name: dimethyl-phenethyl-stearyl-ammonium; mesylic acid Formula: C29H56NO3S+ MolecularWeight: 498.82484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC1=CC=CC=C1.CS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC1=CC=CC=C1.CS(=O)(=O)O

InChI

InChI=1S/C28H52N.CH4O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-29(2,3)27-25-28-23-20-19-21-24-28;1-5(2,3)4/h19-21,23-24H,4-18,22,25-27H2,1-3H3;1H3,(H,2,3,4)/q+1;