1-[3-bromanyl-4-[4-[methyl-(phenylmethyl)amino]piperidin-1-yl]phenyl]ethanone hydrobromide

Systemtic Name: 1-[3-bromanyl-4-[4-[methyl-(phenylmethyl)amino]piperidin-1-yl]phenyl]ethanone hydrobromide Openeye Name: 1-[4-[4-[benzyl(methyl)amino]-1-piperidyl]-3-bromo-phenyl]ethanone hydrobromide CAS Name: 1-[3-bromo-4-[4-[methyl-(phenylmethyl)amino]-1-piperidinyl]phenyl]ethanone hydrobromide IUPAC Name: 1-[4-[4-[benzyl(methyl)amino]piperidin-1-yl]-3-bromophenyl]ethanone hydrobromide Traditional Name: 1-[4-[4-[benzyl(methyl)amino]piperidino]-3-bromo-phenyl]ethanone hydrobromide Formula: C21H26Br2N2O MolecularWeight: 482.25194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N(C)CC3=CC=CC=C3)Br.Br

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N(C)CC3=CC=CC=C3)Br.Br

InChI

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