1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone hydrochloride

Systemtic Name: 1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone hydrochloride Openeye Name: 1-[4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone hydrochloride CAS Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazinyl]-2-phenylethanone hydrochloride IUPAC Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone hydrochloride Traditional Name: 1-[4-(5-bromo-2-methoxy-benzyl)piperazino]-2-phenyl-ethanone hydrochloride Formula: C20H24BrClN2O2 MolecularWeight: 439.77376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C(=O)CC3=CC=CC=C3.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C(=O)CC3=CC=CC=C3.Cl

InChI

InChI=1S/C20H23BrN2O2.ClH/c1-25-19-8-7-18(21)14-17(19)15-22-9-11-23(12-10-22)20(24)13-16-5-3-2-4-6-16;/h2-8,14H,9-13,15H2,1H3;1H