(E)-4-[[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-oxomethyl]amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[methyl-(1-methylpiperidin-1-ium-4-yl)carbamoyl]amino]but-2-enoate Formula: C12H19N3O4 MolecularWeight: 269.29696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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