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

Systemtic Name: ethyl 1-[(2R)-1-[(5-chloranyl-2-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-(5-chloro-2-methoxy-anilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-(5-chloro-2-methoxy-anilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H26ClN2O4+ MolecularWeight: 369.86304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O4/c1-4-25-18(23)13-7-9-21(10-8-13)12(2)17(22)20-15-11-14(19)5-6-16(15)24-3/h5-6,11-13H,4,7-10H2,1-3H3,(H,20,22)/p+1/t12-/m1/s1