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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

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