1-[2-[(2-cyano-4,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(2-cyano-4,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2-cyano-4,5-dimethoxy-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2-cyano-4,5-dimethoxyanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2-cyano-4,5-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2-cyano-4,5-dimethoxy-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C17H23N4O4+ MolecularWeight: 347.38892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NC(=O)C[NH+]2CCC(CC2)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NC(=O)C[NH+]2CCC(CC2)C(=O)N)OC

InChI

InChI=1S/C17H22N4O4/c1-24-14-7-12(9-18)13(8-15(14)25-2)20-16(22)10-21-5-3-11(4-6-21)17(19)23/h7-8,11H,3-6,10H2,1-2H3,(H2,19,23)(H,20,22)/p+1