(E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide

Systemtic Name: (E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide Openeye Name: (E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(5-nitro-2-furyl)prop-2-enamide CAS Name: (E)-N-(4-methyl-1-piperazin-4-iumyl)-3-(5-nitro-2-furanyl)-2-propenamide IUPAC Name: (E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide Traditional Name: (E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(5-nitro-2-furyl)acrylamide Formula: C12H17N4O4+ MolecularWeight: 281.28778

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O4/c1-14-6-8-15(9-7-14)13-11(17)4-2-10-3-5-12(20-10)16(18)19/h2-5H,6-9H2,1H3,(H,13,17)/p+1/b4-2+