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

Systemtic Name: methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(veratrylamino)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H27N2O5+ MolecularWeight: 351.41738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5/c1-23-15-5-4-13(10-16(15)24-2)11-19-17(21)12-20-8-6-14(7-9-20)18(22)25-3/h4-5,10,14H,6-9,11-12H2,1-3H3,(H,19,21)/p+1