2-[[1-[(4-bromophenyl)methyl]pyridin-1-ium-4-yl]-oxidanyl-methyl]-2,3-dihydropyrrolizin-1-one bromide

Systemtic Name: 2-[[1-[(4-bromophenyl)methyl]pyridin-1-ium-4-yl]-oxidanyl-methyl]-2,3-dihydropyrrolizin-1-one bromide Openeye Name: 2-[[1-[(4-bromophenyl)methyl]pyridin-1-ium-4-yl]-hydroxy-methyl]-2,3-dihydropyrrolizin-1-one bromide CAS Name: 2-[[1-[(4-bromophenyl)methyl]-4-pyridin-1-iumyl]-hydroxymethyl]-2,3-dihydropyrrolizin-1-one bromide IUPAC Name: 2-[[1-[(4-bromophenyl)methyl]pyridin-1-ium-4-yl]-hydroxymethyl]-2,3-dihydropyrrolizin-1-one bromide Traditional Name: 2-[[1-(4-bromobenzyl)pyridin-1-ium-4-yl]-hydroxy-methyl]-2,3-dihydropyrrolizin-1-one bromide Formula: C20H18Br2N2O2 MolecularWeight: 478.17712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=CC=CN21)C(C3=CC=[N+](C=C3)CC4=CC=C(C=C4)Br)O.[Br-]

Isomeric SMILES

C1C(C(=O)C2=CC=CN21)C(C3=CC=[N+](C=C3)CC4=CC=C(C=C4)Br)O.[Br-]

InChI

InChI=1S/C20H18BrN2O2.BrH/c21-16-5-3-14(4-6-16)12-22-10-7-15(8-11-22)19(24)17-13-23-9-1-2-18(23)20(17)25;/h1-11,17,19,24H,12-13H2;1H/q+1;/p-1