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

Systemtic Name: 2-[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenyl]-1-[7-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone bromide Openeye Name: 2-[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenyl]-1-[7-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone bromide CAS Name: 2-[4-[(1-ethyl-1-piperidin-1-iumyl)methyl]phenyl]-1-[7-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone bromide IUPAC Name: 2-[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenyl]-1-[7-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone bromide Traditional Name: 2-[4-[(1-ethylpiperidin-1-ium-1-yl)methyl]phenyl]-1-[7-(p-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone bromide Formula: C32H39BrN2O MolecularWeight: 547.56886

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)CC2=CC=C(C=C2)CC(=O)N3CCC4=C(C3)C=C(C=C4)C5=CC=C(C=C5)C.[Br-]

Isomeric SMILES

CC[N+]1(CCCCC1)CC2=CC=C(C=C2)CC(=O)N3CCC4=C(C3)C=C(C=C4)C5=CC=C(C=C5)C.[Br-]

InChI

InChI=1S/C32H39N2O.BrH/c1-3-34(19-5-4-6-20-34)24-27-11-9-26(10-12-27)21-32(35)33-18-17-29-15-16-30(22-31(29)23-33)28-13-7-25(2)8-14-28;/h7-16,22H,3-6,17-21,23-24H2,1-2H3;1H/q+1;/p-1