methyl (6S)-3-cyclopropyl-2-oxidanylidene-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-3-cyclopropyl-2-oxidanylidene-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-cyclopropyl-2-oxo-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-cyclopropyl-2-oxo-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-cyclopropyl-2-oxo-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-cyclopropyl-2-keto-6-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3CC3)C[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

COC(=O)C1=C(N(C(=O)N[C@H]1C2=CC=CC=C2)C3CC3)C[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H27N3O3/c1-31-24(29)22-21(16-27-14-13-17-7-5-6-10-19(17)15-27)28(20-11-12-20)25(30)26-23(22)18-8-3-2-4-9-18/h2-10,20,23H,11-16H2,1H3,(H,26,30)/p+1/t23-/m0/s1