(E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-(4-methyl-1-piperazin-4-iumyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-(4-methylpiperazin-4-ium-1-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C16H21N4O5+ MolecularWeight: 349.36174

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C=CC2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)/C=C/C2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O5/c1-18-4-6-19(7-5-18)17-15(21)3-2-12-8-14(20(22)23)9-13-10-24-11-25-16(12)13/h2-3,8-9H,4-7,10-11H2,1H3,(H,17,21)/p+1/b3-2+