1-[3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone Formula: C20H24ClN2O2+ MolecularWeight: 359.86976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN2O2/c1-15(24)16-6-7-20(25-2)17(12-16)14-22-8-10-23(11-9-22)19-5-3-4-18(21)13-19/h3-7,12-13H,8-11,14H2,1-2H3/p+1