1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-(4-phenylphenoxy)ethanone; 4-methylbenzenesulfonic acid

Systemtic Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-(4-phenylphenoxy)ethanone; 4-methylbenzenesulfonic acid Openeye Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-(4-phenylphenoxy)ethanone; 4-methylbenzenesulfonic acid CAS Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-(4-phenylphenoxy)ethanone; 4-methylbenzenesulfonic acid IUPAC Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-(4-phenylphenoxy)ethanone; 4-methylbenzenesulfonic acid Traditional Name: 1-[3-(dimethylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-(4-phenylphenoxy)ethanone; tosylic acid Formula: C33H36N2O5S MolecularWeight: 572.71434

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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)COC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CC1CC2=CC=CC=C2N(C1)C(=O)COC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2.C7H8O3S/c1-27(2)17-20-16-23-10-6-7-11-25(23)28(18-20)26(29)19-30-24-14-12-22(13-15-24)21-8-4-3-5-9-21;1-6-2-4-7(5-3-6)11(8,9)10/h3-15,20H,16-19H2,1-2H3;2-5H,1H3,(H,8,9,10)