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: 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: 2-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-quinazolin-4-one CAS Name: 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: 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: 2-[[(1S)-6,7-dimethoxy-1-(2-thienyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1H-quinazolin-4-one Formula: C24H24N3O3S+ MolecularWeight: 434.53066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC3=NC(=O)C4=CC=CC=C4N3)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC3=NC(=O)C4=CC=CC=C4N3)C5=CC=CS5)OC

InChI

InChI=1S/C24H23N3O3S/c1-29-19-12-15-9-10-27(14-22-25-18-7-4-3-6-16(18)24(28)26-22)23(21-8-5-11-31-21)17(15)13-20(19)30-2/h3-8,11-13,23H,9-10,14H2,1-2H3,(H,25,26,28)/p+1/t23-/m0/s1