(E)-4-oxidanylidene-4-[(4-propylpiperazin-4-ium-1-yl)carbonylamino]but-2-enoate

Systemtic Name: (E)-4-oxidanylidene-4-[(4-propylpiperazin-4-ium-1-yl)carbonylamino]but-2-enoate Openeye Name: (E)-4-oxo-4-[(4-propylpiperazin-4-ium-1-carbonyl)amino]but-2-enoate CAS Name: (E)-4-oxo-4-[[oxo-(4-propyl-1-piperazin-4-iumyl)methyl]amino]-2-butenoate IUPAC Name: (E)-4-oxo-4-[(4-propylpiperazin-4-ium-1-carbonyl)amino]but-2-enoate Traditional Name: (E)-4-keto-4-[(4-propylpiperazin-4-ium-1-carbonyl)amino]but-2-enoate Formula: C12H19N3O4 MolecularWeight: 269.29696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O4/c1-2-5-14-6-8-15(9-7-14)12(19)13-10(16)3-4-11(17)18/h3-4H,2,5-9H2,1H3,(H,17,18)(H,13,16,19)/b4-3+