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

Systemtic Name: ethyl (4R)-4-(5-methylfuran-2-yl)-2-oxidanylidene-6-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(5-methyl-2-furyl)-2-oxo-6-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(5-methyl-2-furanyl)-2-oxo-6-[(4-phenyl-1-piperidin-1-iumyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(5-methylfuran-2-yl)-2-oxo-6-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-4-(5-methyl-2-furyl)-6-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(O2)C)C[NH+]3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(O2)C)C[NH+]3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O4/c1-3-30-23(28)21-19(25-24(29)26-22(21)20-10-9-16(2)31-20)15-27-13-11-18(12-14-27)17-7-5-4-6-8-17/h4-10,18,22H,3,11-15H2,1-2H3,(H2,25,26,29)/p+1/t22-/m0/s1