(E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(4-methyl-1-piperazin-4-iumyl)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(3-nitrophenyl)acrylamide Formula: C14H19N4O3+ MolecularWeight: 291.32566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O3/c1-16-7-9-17(10-8-16)15-14(19)6-5-12-3-2-4-13(11-12)18(20)21/h2-6,11H,7-10H2,1H3,(H,15,19)/p+1/b6-5+