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

Systemtic Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[4-(2-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=C4Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4Cl

InChI

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