(E)-1-(4-methylpiperazin-4-ium-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-methylpiperazin-4-ium-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-methylpiperazin-4-ium-1-yl)-3-(5-nitro-2-furyl)prop-2-en-1-one CAS Name: (E)-1-(4-methyl-1-piperazin-4-iumyl)-3-(5-nitro-2-furanyl)-2-propen-1-one IUPAC Name: (E)-1-(4-methylpiperazin-4-ium-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-methylpiperazin-4-ium-1-yl)-3-(5-nitro-2-furyl)prop-2-en-1-one Formula: C12H16N3O4+ MolecularWeight: 266.27314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4/c1-13-6-8-14(9-7-13)11(16)4-2-10-3-5-12(19-10)15(17)18/h2-5H,6-9H2,1H3/p+1/b4-2+