3-(2,2-diphenylethanoylamino)propyl-trimethyl-azanium; 4-methylbenzenesulfonic acid

Systemtic Name: 3-(2,2-diphenylethanoylamino)propyl-trimethyl-azanium; 4-methylbenzenesulfonic acid Openeye Name: 3-[(2,2-diphenylacetyl)amino]propyl-trimethyl-ammonium; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; trimethyl-[3-[(1-oxo-2,2-diphenylethyl)amino]propyl]ammonium IUPAC Name: 3-[(2,2-diphenylacetyl)amino]propyl-trimethylazanium; 4-methylbenzenesulfonic acid Traditional Name: 3-[(2,2-diphenylacetyl)amino]propyl-trimethyl-ammonium; tosylic acid Formula: C27H35N2O4S+ MolecularWeight: 483.6428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O.C7H8O3S/c1-22(2,3)16-10-15-21-20(23)19(17-11-6-4-7-12-17)18-13-8-5-9-14-18;1-6-2-4-7(5-3-6)11(8,9)10/h4-9,11-14,19H,10,15-16H2,1-3H3;2-5H,1H3,(H,8,9,10)/p+1