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

Systemtic Name: ethyl (4R)-6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-[[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-[[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H27N4O5+ MolecularWeight: 451.49498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CO2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C24H26N4O5/c1-2-31-23(29)20-17(26-24(30)27-21(20)19-8-5-13-32-19)14-28-11-9-15(10-12-28)22-25-16-6-3-4-7-18(16)33-22/h3-8,13,15,21H,2,9-12,14H2,1H3,(H2,26,27,30)/p+1/t21-/m0/s1