ethyl 1-[(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H23ClN3O3+ MolecularWeight: 364.84652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O3/c1-3-25-18(24)13-6-8-22(9-7-13)12(2)17(23)21-15-5-4-14(11-20)16(19)10-15/h4-5,10,12-13H,3,6-9H2,1-2H3,(H,21,23)/p+1/t12-/m1/s1