ethyl (4R)-4-methyl-2-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-methyl-2-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-methyl-2-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-methyl-2-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-methyl-2-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-4-methyl-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H23N3O3/c1-3-24-17(22)16-12(2)19-18(23)20-15(16)11-21-9-8-13-6-4-5-7-14(13)10-21/h4-7,12H,3,8-11H2,1-2H3,(H2,19,20,23)/p+1/t12-/m1/s1