1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methoxyphenyl)ethanone

Systemtic Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methoxyphenyl)ethanone Openeye Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methoxyphenyl)ethanone CAS Name: 1-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-(3-methoxyphenyl)ethanone IUPAC Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methoxyphenyl)ethanone Traditional Name: 1-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-2-(3-methoxyphenyl)ethanone Formula: C20H24ClN2O2+ MolecularWeight: 359.86976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN2O2/c1-25-19-7-3-4-16(13-19)14-20(24)23-10-8-22(9-11-23)15-17-5-2-6-18(21)12-17/h2-7,12-13H,8-11,14-15H2,1H3/p+1