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

Systemtic Name: ethyl (4S)-4-(furan-2-yl)-6-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(2-furyl)-6-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-furanyl)-6-[(4-methoxycarbonyl-1-piperidin-1-iumyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(furan-2-yl)-6-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-carbomethoxypiperidin-1-ium-1-yl)methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H26N3O6+ MolecularWeight: 392.42624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CO2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H25N3O6/c1-3-27-18(24)15-13(11-22-8-6-12(7-9-22)17(23)26-2)20-19(25)21-16(15)14-5-4-10-28-14/h4-5,10,12,16H,3,6-9,11H2,1-2H3,(H2,20,21,25)/p+1/t16-/m1/s1