(E)-2-cyano-3-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]acrylamide Formula: C15H18N5O3+ MolecularWeight: 316.33512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=C(C#N)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O3/c1-18-4-6-19(7-5-18)13-3-2-11(9-14(13)20(22)23)8-12(10-16)15(17)21/h2-3,8-9H,4-7H2,1H3,(H2,17,21)/p+1/b12-8+