4-methylbenzenesulfonic acid; trimethyl-(5-oxidanylidene-4,4-diphenyl-heptan-2-yl)azanium

Systemtic Name: 4-methylbenzenesulfonic acid; trimethyl-(5-oxidanylidene-4,4-diphenyl-heptan-2-yl)azanium Openeye Name: 4-methylbenzenesulfonic acid; trimethyl-(1-methyl-4-oxo-3,3-diphenyl-hexyl)ammonium CAS Name: 4-methylbenzenesulfonic acid; trimethyl-(5-oxo-4,4-diphenylheptan-2-yl)ammonium IUPAC Name: 4-methylbenzenesulfonic acid; trimethyl-(5-oxo-4,4-diphenylheptan-2-yl)azanium Traditional Name: (4-keto-1-methyl-3,3-diphenyl-hexyl)-trimethyl-ammonium; tosylic acid Formula: C29H38NO4S+ MolecularWeight: 496.68132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC(C)[N+](C)(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC(=O)C(CC(C)[N+](C)(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C22H30NO.C7H8O3S/c1-6-21(24)22(17-18(2)23(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20;1-6-2-4-7(5-3-6)11(8,9)10/h7-16,18H,6,17H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;