(2E)-1-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)imino-ethanone chloride

Systemtic Name: (2E)-1-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)imino-ethanone chloride Openeye Name: (2E)-1-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)imino-ethanone chloride CAS Name: (2E)-1-(4-chlorophenyl)-2-[(4-methyl-1-piperazin-4-iumyl)imino]ethanone chloride IUPAC Name: (2E)-1-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)iminoethanone chloride Traditional Name: (2E)-1-(4-chlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)imino-ethanone chloride Formula: C13H17Cl2N3O MolecularWeight: 302.19958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC(=O)C2=CC=C(C=C2)Cl.[Cl-]

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C/C(=O)C2=CC=C(C=C2)Cl.[Cl-]

InChI

InChI=1S/C13H16ClN3O.ClH/c1-16-6-8-17(9-7-16)15-10-13(18)11-2-4-12(14)5-3-11;/h2-5,10H,6-9H2,1H3;1H/b15-10+;