1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-[4-(3-chlorophenyl)piperazino]ethanone Formula: C24H31ClN3O+ MolecularWeight: 412.97544

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H30ClN3O/c25-22-7-4-8-23(18-22)27-13-15-28(16-14-27)24(29)19-26-11-9-21(10-12-26)17-20-5-2-1-3-6-20/h1-8,18,21H,9-17,19H2/p+1