methyl 1-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C17H21N3O3/c1-12(20-8-6-14(7-9-20)17(22)23-2)16(21)19-15-5-3-4-13(10-15)11-18/h3-5,10,12,14H,6-9H2,1-2H3,(H,19,21)/p+1/t12-/m1/s1