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

Systemtic Name: 3-(4-bromophenyl)-1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one; 4-methylbenzenesulfonic acid Openeye Name: 3-(4-bromophenyl)-1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one; 4-methylbenzenesulfonic acid CAS Name: 3-(4-bromophenyl)-1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-propanone; 4-methylbenzenesulfonic acid IUPAC Name: 3-(4-bromophenyl)-1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one; 4-methylbenzenesulfonic acid Traditional Name: 3-(4-bromophenyl)-1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one; tosylic acid Formula: C28H33BrN2O4S MolecularWeight: 573.54162

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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)Br

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)Br

InChI

InChI=1S/C21H25BrN2O.C7H8O3S/c1-23(2)14-17-13-18-5-3-4-6-20(18)24(15-17)21(25)12-9-16-7-10-19(22)11-8-16;1-6-2-4-7(5-3-6)11(8,9)10/h3-8,10-11,17H,9,12-15H2,1-2H3;2-5H,1H3,(H,8,9,10)