2-(3-methylimidazol-3-ium-1-yl)-1-[8-methyl-2-(3-nitrophenyl)indolizin-3-yl]ethanone chloride

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)-1-[8-methyl-2-(3-nitrophenyl)indolizin-3-yl]ethanone chloride Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)-1-[8-methyl-2-(3-nitrophenyl)indolizin-3-yl]ethanone chloride CAS Name: 2-(3-methyl-1-imidazol-3-iumyl)-1-[8-methyl-2-(3-nitrophenyl)-3-indolizinyl]ethanone chloride IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)-1-[8-methyl-2-(3-nitrophenyl)indolizin-3-yl]ethanone chloride Traditional Name: 2-(3-methylimidazol-3-ium-1-yl)-1-[8-methyl-2-(3-nitrophenyl)indolizin-3-yl]ethanone chloride Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=CC(=C2C(=O)CN3C=C[N+](=C3)C)C4=CC(=CC=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1=CC=CN2C1=CC(=C2C(=O)CN3C=C[N+](=C3)C)C4=CC(=CC=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C21H19N4O3.ClH/c1-15-5-4-8-24-19(15)12-18(16-6-3-7-17(11-16)25(27)28)21(24)20(26)13-23-10-9-22(2)14-23;/h3-12,14H,13H2,1-2H3;1H/q+1;/p-1