1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one; 4-methylbenzenesulfonic acid

Systemtic Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one; 4-methylbenzenesulfonic acid Openeye Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-(o-tolyl)propan-1-one; 4-methylbenzenesulfonic acid CAS Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)-1-propanone; 4-methylbenzenesulfonic acid IUPAC Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one; 4-methylbenzenesulfonic acid Traditional Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-(o-tolyl)propan-1-one; tosylic acid Formula: C29H36N2O4S MolecularWeight: 508.67214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=CC=C1CCC(=O)N2CC(CC3=CC=CC=C32)CN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=CC=C1CCC(=O)N2CC(CC3=CC=CC=C32)CN(C)C

InChI

InChI=1S/C22H28N2O.C7H8O3S/c1-17-8-4-5-9-19(17)12-13-22(25)24-16-18(15-23(2)3)14-20-10-6-7-11-21(20)24;1-6-2-4-7(5-3-6)11(8,9)10/h4-11,18H,12-16H2,1-3H3;2-5H,1H3,(H,8,9,10)