(9-oxidanylidene-3-pyridin-1-ium-1-yl-1H-pyrrolo[2,1-b]quinazolin-2-yl)azanium

Systemtic Name: (9-oxidanylidene-3-pyridin-1-ium-1-yl-1H-pyrrolo[2,1-b]quinazolin-2-yl)azanium Openeye Name: (9-oxo-3-pyridin-1-ium-1-yl-1H-pyrrolo[2,1-b]quinazolin-2-yl)ammonium CAS Name: [9-oxo-3-(1-pyridin-1-iumyl)-1H-pyrrolo[2,1-b]quinazolin-2-yl]ammonium IUPAC Name: (9-oxo-3-pyridin-1-ium-1-yl-1H-pyrrolo[2,1-b]quinazolin-2-yl)azanium Traditional Name: (9-keto-3-pyridin-1-ium-1-yl-1H-pyrrolo[2,1-b]quinazolin-2-yl)ammonium Formula: C16H14N4O+2 MolecularWeight: 278.30856

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C2=NC3=CC=CC=C3C(=O)N21)[N+]4=CC=CC=C4)[NH3+]

Isomeric SMILES

C1C(=C(C2=NC3=CC=CC=C3C(=O)N21)[N+]4=CC=CC=C4)[NH3+]

InChI

InChI=1S/C16H12N4O/c17-12-10-20-15(14(12)19-8-4-1-5-9-19)18-13-7-3-2-6-11(13)16(20)21/h1-9H,10H2,(H-,17,18,21)/p+2