7-[2-(pyridin-1-ium-1-ylmethyl)phenyl]carbonyl-6,12-dihydroisoquinolino[2,3-a]quinazolin-5-one

Systemtic Name: 7-[2-(pyridin-1-ium-1-ylmethyl)phenyl]carbonyl-6,12-dihydroisoquinolino[2,3-a]quinazolin-5-one Openeye Name: 7-[2-(pyridin-1-ium-1-ylmethyl)benzoyl]-6,12-dihydroisoquinolino[2,3-a]quinazolin-5-one CAS Name: 7-[oxo-[2-(1-pyridin-1-iumylmethyl)phenyl]methyl]-6,12-dihydroisoquinolino[2,3-a]quinazolin-5-one IUPAC Name: 7-[2-(pyridin-1-ium-1-ylmethyl)benzoyl]-6,12-dihydroisoquinolino[2,3-a]quinazolin-5-one Traditional Name: 7-[2-(pyridin-1-ium-1-ylmethyl)benzoyl]-6,12-dihydroisoquinolino[2,3-a]quinazolin-5-one Formula: C29H22N3O2+ MolecularWeight: 444.50388

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=C3N1C4=CC=CC=C4C(=O)N3)C(=O)C5=CC=CC=C5C[N+]6=CC=CC=C6

Isomeric SMILES

C1C2=CC=CC=C2C(=C3N1C4=CC=CC=C4C(=O)N3)C(=O)C5=CC=CC=C5C[N+]6=CC=CC=C6

InChI

InChI=1S/C29H21N3O2/c33-27(23-13-5-3-10-20(23)18-31-16-8-1-9-17-31)26-22-12-4-2-11-21(22)19-32-25-15-7-6-14-24(25)29(34)30-28(26)32/h1-17H,18-19H2/p+1