methyl (3R)-2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: methyl (3R)-2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: methyl (3R)-2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3R)-2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3R)-2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylic acid methyl ester Formula: C20H19ClN3O3+ MolecularWeight: 384.83616

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2C[NH+]1CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2C[NH+]1CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN3O3/c1-27-20(26)17-8-12-4-2-3-5-13(12)10-24(17)11-18-22-16-9-14(21)6-7-15(16)19(25)23-18/h2-7,9,17H,8,10-11H2,1H3,(H,22,23,25)/p+1/t17-/m1/s1