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

Systemtic Name: (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-nitrophenyl)ethanone chloride Openeye Name: (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-nitrophenyl)ethanone chloride CAS Name: (2E)-2-[(4-methyl-1-piperazin-4-iumyl)imino]-1-(4-nitrophenyl)ethanone chloride IUPAC Name: (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-nitrophenyl)ethanone chloride Traditional Name: (2E)-2-(4-methylpiperazin-4-ium-1-yl)imino-1-(4-nitrophenyl)ethanone chloride Formula: C13H17ClN4O3 MolecularWeight: 312.75208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O3.ClH/c1-15-6-8-16(9-7-15)14-10-13(18)11-2-4-12(5-3-11)17(19)20;/h2-5,10H,6-9H2,1H3;1H/b14-10+;