7-[[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]-oxidanyl-methyl]-6,7-dihydro-5H-indolizin-8-one bromide

Systemtic Name: 7-[[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]-oxidanyl-methyl]-6,7-dihydro-5H-indolizin-8-one bromide Openeye Name: 7-[hydroxy-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]methyl]-6,7-dihydro-5H-indolizin-8-one bromide CAS Name: 7-[hydroxy-[1-[(4-nitrophenyl)methyl]-4-pyridin-1-iumyl]methyl]-6,7-dihydro-5H-indolizin-8-one bromide IUPAC Name: 7-[hydroxy-[1-[(4-nitrophenyl)methyl]pyridin-1-ium-4-yl]methyl]-6,7-dihydro-5H-indolizin-8-one bromide Traditional Name: 7-[hydroxy-[1-(4-nitrobenzyl)pyridin-1-ium-4-yl]methyl]-6,7-dihydro-5H-indolizin-8-one bromide Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C=CC=C2C(=O)C1C(C3=CC=[N+](C=C3)CC4=CC=C(C=C4)[N+](=O)[O-])O.[Br-]

Isomeric SMILES

C1CN2C=CC=C2C(=O)C1C(C3=CC=[N+](C=C3)CC4=CC=C(C=C4)[N+](=O)[O-])O.[Br-]

InChI

InChI=1S/C21H20N3O4.BrH/c25-20(18-9-13-23-10-1-2-19(23)21(18)26)16-7-11-22(12-8-16)14-15-3-5-17(6-4-15)24(27)28;/h1-8,10-12,18,20,25H,9,13-14H2;1H/q+1;/p-1