6,7-dimethoxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinazolin-4-one Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C20H21N3O3/c1-25-17-9-15-16(10-18(17)26-2)21-19(22-20(15)24)12-23-8-7-13-5-3-4-6-14(13)11-23/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,21,22,24)/p+1