ethyl 6-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(3S)-3-ethoxycarbonyl-1-piperidin-1-iumyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(3S)-3-ethoxycarbonylpiperidin-1-ium-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(3S)-3-carbethoxypiperidin-1-ium-1-yl]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H26N3O5+ MolecularWeight: 340.39474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(CNC(=O)N2)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=C(CNC(=O)N2)C(=O)OCC

InChI

InChI=1S/C16H25N3O5/c1-3-23-14(20)11-6-5-7-19(9-11)10-13-12(15(21)24-4-2)8-17-16(22)18-13/h11H,3-10H2,1-2H3,(H2,17,18,22)/p+1/t11-/m0/s1