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

Systemtic Name: 7-chloranyl-2-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-quinazolin-4-one Formula: C24H23ClN3O3S+ MolecularWeight: 468.97572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CC=CS5)OC

InChI

InChI=1S/C24H22ClN3O3S/c1-30-19-10-14-7-8-28(23(21-4-3-9-32-21)17(14)12-20(19)31-2)13-22-26-18-11-15(25)5-6-16(18)24(29)27-22/h3-6,9-12,23H,7-8,13H2,1-2H3,(H,26,27,29)/p+1/t23-/m0/s1