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

Systemtic Name: methyl 1-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H22ClN2O4+ MolecularWeight: 341.80988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C16H21ClN2O4/c1-22-14-4-3-12(17)9-13(14)18-15(20)10-19-7-5-11(6-8-19)16(21)23-2/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,20)/p+1