1-[2-(3-nitrophenyl)indolizin-3-yl]-2-pyridin-1-ium-1-yl-ethanone chloride

Systemtic Name: 1-[2-(3-nitrophenyl)indolizin-3-yl]-2-pyridin-1-ium-1-yl-ethanone chloride Openeye Name: 1-[2-(3-nitrophenyl)indolizin-3-yl]-2-pyridin-1-ium-1-yl-ethanone chloride CAS Name: 1-[2-(3-nitrophenyl)-3-indolizinyl]-2-(1-pyridin-1-iumyl)ethanone chloride IUPAC Name: 1-[2-(3-nitrophenyl)indolizin-3-yl]-2-pyridin-1-ium-1-ylethanone chloride Traditional Name: 1-[2-(3-nitrophenyl)indolizin-3-yl]-2-pyridin-1-ium-1-yl-ethanone chloride Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)C2=C(C=C3N2C=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)C2=C(C=C3N2C=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C21H16N3O3.ClH/c25-20(15-22-10-3-1-4-11-22)21-19(14-17-8-2-5-12-23(17)21)16-7-6-9-18(13-16)24(26)27;/h1-14H,15H2;1H/q+1;/p-1