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

Systemtic Name: (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-phenyl-ethanone chloride Openeye Name: (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-phenyl-ethanone chloride CAS Name: (2E)-2-[(4-methyl-1-piperazin-4-iumyl)imino]-1-phenylethanone chloride IUPAC Name: (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-phenylethanone chloride Traditional Name: (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-phenyl-ethanone chloride Formula: C13H18ClN3O MolecularWeight: 267.75452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O.ClH/c1-15-7-9-16(10-8-15)14-11-13(17)12-5-3-2-4-6-12;/h2-6,11H,7-10H2,1H3;1H/b14-11+;