6-chloranyl-2-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-quinazolin-4-one Formula: C26H25ClN3O3+ MolecularWeight: 462.948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C5=CC=CC=C5)OC

InChI

InChI=1S/C26H24ClN3O3/c1-32-22-12-17-10-11-30(15-24-28-21-9-8-18(27)13-20(21)26(31)29-24)25(16-6-4-3-5-7-16)19(17)14-23(22)33-2/h3-9,12-14,25H,10-11,15H2,1-2H3,(H,28,29,31)/p+1/t25-/m1/s1