2-azanyl-3-pyridin-1-ium-1-yl-1H-pyrrolo[2,1-b]quinazolin-9-one chloride

Systemtic Name: 2-azanyl-3-pyridin-1-ium-1-yl-1H-pyrrolo[2,1-b]quinazolin-9-one chloride Openeye Name: 2-amino-3-pyridin-1-ium-1-yl-1H-pyrrolo[2,1-b]quinazolin-9-one chloride CAS Name: 2-amino-3-(1-pyridin-1-iumyl)-1H-pyrrolo[2,1-b]quinazolin-9-one chloride IUPAC Name: 2-amino-3-pyridin-1-ium-1-yl-1H-pyrrolo[2,1-b]quinazolin-9-one chloride Traditional Name: 2-amino-3-pyridin-1-ium-1-yl-1H-pyrrolo[2,1-b]quinazolin-9-one chloride Formula: C16H13ClN4O MolecularWeight: 312.75362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O.ClH/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);1H