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

Systemtic Name: ethyl 1-[(2R)-1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-(2,4-dichloroanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(2,4-dichloroanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H23Cl2N2O3+ MolecularWeight: 374.28212

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H22Cl2N2O3/c1-3-24-17(23)12-6-8-21(9-7-12)11(2)16(22)20-15-5-4-13(18)10-14(15)19/h4-5,10-12H,3,6-9H2,1-2H3,(H,20,22)/p+1/t11-/m1/s1