7-[[1-[(2-bromophenyl)methyl]pyridin-1-ium-4-yl]-oxidanyl-methyl]-6,7-dihydro-5H-indolizin-8-one bromide

Systemtic Name: 7-[[1-[(2-bromophenyl)methyl]pyridin-1-ium-4-yl]-oxidanyl-methyl]-6,7-dihydro-5H-indolizin-8-one bromide Openeye Name: 7-[[1-[(2-bromophenyl)methyl]pyridin-1-ium-4-yl]-hydroxy-methyl]-6,7-dihydro-5H-indolizin-8-one bromide CAS Name: 7-[[1-[(2-bromophenyl)methyl]-4-pyridin-1-iumyl]-hydroxymethyl]-6,7-dihydro-5H-indolizin-8-one bromide IUPAC Name: 7-[[1-[(2-bromophenyl)methyl]pyridin-1-ium-4-yl]-hydroxymethyl]-6,7-dihydro-5H-indolizin-8-one bromide Traditional Name: 7-[[1-(2-bromobenzyl)pyridin-1-ium-4-yl]-hydroxy-methyl]-6,7-dihydro-5H-indolizin-8-one bromide Formula: C21H20Br2N2O2 MolecularWeight: 492.2037

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C=CC=C2C(=O)C1C(C3=CC=[N+](C=C3)CC4=CC=CC=C4Br)O.[Br-]

Isomeric SMILES

C1CN2C=CC=C2C(=O)C1C(C3=CC=[N+](C=C3)CC4=CC=CC=C4Br)O.[Br-]

InChI

InChI=1S/C21H20BrN2O2.BrH/c22-18-5-2-1-4-16(18)14-23-11-7-15(8-12-23)20(25)17-9-13-24-10-3-6-19(24)21(17)26;/h1-8,10-12,17,20,25H,9,13-14H2;1H/q+1;/p-1