methyl 1-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(4-cyanoanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-cyanoanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-cyanoanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-cyanoanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H19N3O3/c1-22-16(21)13-6-8-19(9-7-13)11-15(20)18-14-4-2-12(10-17)3-5-14/h2-5,13H,6-9,11H2,1H3,(H,18,20)/p+1