ethyl 1-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-anilino-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-anilino-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-anilino-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-anilino-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3/c1-3-22-17(21)14-9-11-19(12-10-14)13(2)16(20)18-15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H,18,20)/p+1/t13-/m1/s1