(E)-4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-(4-methylpiperazin-4-ium-1-yl)-4-oxo-but-2-enoate CAS Name: (E)-4-(4-methyl-1-piperazin-4-iumyl)-4-oxo-2-butenoate IUPAC Name: (E)-4-(4-methylpiperazin-4-ium-1-yl)-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-(4-methylpiperazin-4-ium-1-yl)but-2-enoate Formula: C9H14N2O3 MolecularWeight: 198.21906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C9H14N2O3/c1-10-4-6-11(7-5-10)8(12)2-3-9(13)14/h2-3H,4-7H2,1H3,(H,13,14)/b3-2+