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

Systemtic Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-(4-pyridin-3-ylphenyl)propan-1-one; 4-methylbenzenesulfonic acid Openeye Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-[4-(3-pyridyl)phenyl]propan-1-one; 4-methylbenzenesulfonic acid CAS Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-[4-(3-pyridinyl)phenyl]-1-propanone; 4-methylbenzenesulfonic acid IUPAC Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-(4-pyridin-3-ylphenyl)propan-1-one; 4-methylbenzenesulfonic acid Traditional Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-3-[4-(3-pyridyl)phenyl]propan-1-one; tosylic acid Formula: C33H37N3O4S MolecularWeight: 571.72958

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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=C(C=C3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CC1CC2=CC=CC=C2N(C1)C(=O)CCC3=CC=C(C=C3)C4=CN=CC=C4

InChI

InChI=1S/C26H29N3O.C7H8O3S/c1-28(2)18-21-16-23-6-3-4-8-25(23)29(19-21)26(30)14-11-20-9-12-22(13-10-20)24-7-5-15-27-17-24;1-6-2-4-7(5-3-6)11(8,9)10/h3-10,12-13,15,17,21H,11,14,16,18-19H2,1-2H3;2-5H,1H3,(H,8,9,10)