methyl 1-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-carbethoxyanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H25N2O5+ MolecularWeight: 349.4015

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C18H24N2O5/c1-3-25-18(23)13-4-6-15(7-5-13)19-16(21)12-20-10-8-14(9-11-20)17(22)24-2/h4-7,14H,3,8-12H2,1-2H3,(H,19,21)/p+1