3-[4-(4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)butyl]-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-[4-(4-oxidanylidene-4aH-quinazolin-3-ium-3-yl)butyl]-4aH-quinazolin-3-ium-4-one Openeye Name: 3-[4-(4-oxo-4aH-quinazolin-3-ium-3-yl)butyl]-4aH-quinazolin-3-ium-4-one CAS Name: 3-[4-(4-oxo-4aH-quinazolin-3-ium-3-yl)butyl]-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-[4-(4-oxo-4aH-quinazolin-3-ium-3-yl)butyl]-4aH-quinazolin-3-ium-4-one Traditional Name: 3-[4-(4-keto-4aH-quinazolin-3-ium-3-yl)butyl]-4aH-quinazolin-3-ium-4-one Formula: C20H20N4O2+2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=NC=[N+](C2=O)CCCC[N+]3=CN=C4C=CC=CC4C3=O)C=C1

Isomeric SMILES

C1=CC2C(=NC=[N+](C2=O)CCCC[N+]3=CN=C4C=CC=CC4C3=O)C=C1

InChI

InChI=1S/C20H20N4O2/c25-19-15-7-1-3-9-17(15)21-13-23(19)11-5-6-12-24-14-22-18-10-4-2-8-16(18)20(24)26/h1-4,7-10,13-16H,5-6,11-12H2/q+2