1-[7-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]ethanone bromide

Systemtic Name: 1-[7-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]ethanone bromide Openeye Name: 2-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-1-[7-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone bromide CAS Name: 1-[7-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-[4-[(1-methyl-1-piperidin-1-iumyl)methyl]phenyl]ethanone bromide IUPAC Name: 1-[7-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]ethanone bromide Traditional Name: 2-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-1-[7-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone bromide Formula: C31H37BrN2O MolecularWeight: 533.54228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(CCN(C3)C(=O)CC4=CC=C(C=C4)C[N+]5(CCCCC5)C)C=C2.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(CCN(C3)C(=O)CC4=CC=C(C=C4)C[N+]5(CCCCC5)C)C=C2.[Br-]

InChI

InChI=1S/C31H37N2O.BrH/c1-24-6-12-27(13-7-24)29-15-14-28-16-17-32(22-30(28)21-29)31(34)20-25-8-10-26(11-9-25)23-33(2)18-4-3-5-19-33;/h6-15,21H,3-5,16-20,22-23H2,1-2H3;1H/q+1;/p-1