methyl 1-[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(5-methoxycarbonyl-2-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(5-carbomethoxy-2-methyl-anilino)-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:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

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