ethyl 1-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(3-cyanoanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3-cyanoanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(3-cyanoanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-2-23-17(22)14-6-8-20(9-7-14)12-16(21)19-15-5-3-4-13(10-15)11-18/h3-5,10,14H,2,6-9,12H2,1H3,(H,19,21)/p+1