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

Systemtic Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-(3-methoxyphenyl)propan-1-one; 4-methylbenzenesulfonic acid Openeye Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-(3-methoxyphenyl)propan-1-one; 4-methylbenzenesulfonic acid CAS Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-(3-methoxyphenyl)-1-propanone; 4-methylbenzenesulfonic acid IUPAC Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-(3-methoxyphenyl)propan-1-one; 4-methylbenzenesulfonic acid Traditional Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-(3-methoxyphenyl)propan-1-one; tosylic acid Formula: C29H36N2O5S MolecularWeight: 524.67154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CC1CC2=CC=CC=C2N(C1)C(=O)CCC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CC1CC2=CC=CC=C2N(C1)C(=O)CCC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H28N2O2.C7H8O3S/c1-23(2)15-18-13-19-8-4-5-10-21(19)24(16-18)22(25)12-11-17-7-6-9-20(14-17)26-3;1-6-2-4-7(5-3-6)11(8,9)10/h4-10,14,18H,11-13,15-16H2,1-3H3;2-5H,1H3,(H,8,9,10)