methyl (3R)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: methyl (3R)-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: methyl (3R)-2-[(4-oxo-1H-quinazolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3R)-2-[(4-oxo-1H-quinazolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[(4-oxo-1H-quinazolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3R)-2-[(4-keto-1H-quinazolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester Formula: C20H20N3O3+ MolecularWeight: 350.3911

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2C[NH+]1CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2C[NH+]1CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H19N3O3/c1-26-20(25)17-10-13-6-2-3-7-14(13)11-23(17)12-18-21-16-9-5-4-8-15(16)19(24)22-18/h2-9,17H,10-12H2,1H3,(H,21,22,24)/p+1/t17-/m1/s1