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

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-[4-(phenylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-(4-benzylpiperazin-1-ium-1-yl)-1-piperidyl]-2-(4-chlorophenoxy)ethanone CAS Name: 2-(4-chlorophenoxy)-1-[4-[4-(phenylmethyl)-1-piperazin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-(4-benzylpiperazin-1-ium-1-yl)piperidin-1-yl]-2-(4-chlorophenoxy)ethanone Traditional Name: 1-[4-(4-benzylpiperazin-1-ium-1-yl)piperidino]-2-(4-chlorophenoxy)ethanone Formula: C24H31ClN3O2+ MolecularWeight: 428.97484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCN(CC2)CC3=CC=CC=C3)C(=O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1[NH+]2CCN(CC2)CC3=CC=CC=C3)C(=O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H30ClN3O2/c25-21-6-8-23(9-7-21)30-19-24(29)28-12-10-22(11-13-28)27-16-14-26(15-17-27)18-20-4-2-1-3-5-20/h1-9,22H,10-19H2/p+1