(4-chlorophenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone chloride

Systemtic Name: (4-chlorophenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone chloride Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4-chlorophenyl)methanone chloride CAS Name: (4-chlorophenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone chloride IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-chlorophenyl)methanone chloride Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4-chlorophenyl)methanone chloride Formula: C18H20Cl2N2O MolecularWeight: 351.2702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O.ClH/c19-17-8-6-16(7-9-17)18(22)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15;/h1-9H,10-14H2;1H