ethyl 1-[(2R)-1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-(4-chloro-2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H28ClN2O4+ MolecularWeight: 383.88962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O4/c1-5-26-19(24)14-6-8-22(9-7-14)13(3)18(23)21-16-10-12(2)15(20)11-17(16)25-4/h10-11,13-14H,5-9H2,1-4H3,(H,21,23)/p+1/t13-/m1/s1