methyl 1-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3,4-diethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(3,4-diethoxyanilino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H29N2O5+ MolecularWeight: 365.44396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)OCC

InChI

InChI=1S/C19H28N2O5/c1-4-25-16-7-6-15(12-17(16)26-5-2)20-18(22)13-21-10-8-14(9-11-21)19(23)24-3/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,20,22)/p+1