ethyl 1-[[(3,4-dimethoxyphenyl)carbonylamino]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[(3,4-dimethoxyphenyl)carbonylamino]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[[(3,4-dimethoxyphenyl)-oxomethyl]amino]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(veratroylamino)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H27N2O5+ MolecularWeight: 351.41738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CNC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CNC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H26N2O5/c1-4-25-18(22)13-7-9-20(10-8-13)12-19-17(21)14-5-6-15(23-2)16(11-14)24-3/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,19,21)/p+1