ethyl (3S)-1-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-methoxycarbonylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(4-carbomethoxyanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H25N2O5+ MolecularWeight: 349.4015

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H24N2O5/c1-3-25-18(23)14-5-4-10-20(11-14)12-16(21)19-15-8-6-13(7-9-15)17(22)24-2/h6-9,14H,3-5,10-12H2,1-2H3,(H,19,21)/p+1/t14-/m0/s1