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

Systemtic Name: 2-(4-chlorophenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-chlorophenyl)ethanone CAS Name: 2-(4-chlorophenyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-chlorophenyl)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-chlorophenyl)ethanone Formula: C19H22ClN2O+ MolecularWeight: 329.84378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN2O/c20-18-8-6-16(7-9-18)14-19(23)22-12-10-21(11-13-22)15-17-4-2-1-3-5-17/h1-9H,10-15H2/p+1