2-[2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)OC

InChI

InChI=1S/C22H24N4O4/c1-29-18-9-14-7-8-25(11-15(14)10-19(18)30-2)13-21-24-17-6-4-3-5-16(17)22(28)26(21)12-20(23)27/h3-6,9-10H,7-8,11-13H2,1-2H3,(H2,23,27)/p+1