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

Systemtic Name: ethyl 1-[(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-keto-2-(m-anisidino)-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-4-24-18(22)14-8-10-20(11-9-14)13(2)17(21)19-15-6-5-7-16(12-15)23-3/h5-7,12-14H,4,8-11H2,1-3H3,(H,19,21)/p+1/t13-/m1/s1