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

Systemtic Name: 2-[[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]-oxidanyl-methyl]-2,3-dihydropyrrolizin-1-one bromide Openeye Name: 2-[hydroxy-[1-(o-tolylmethyl)pyridin-1-ium-4-yl]methyl]-2,3-dihydropyrrolizin-1-one bromide CAS Name: 2-[hydroxy-[1-[(2-methylphenyl)methyl]-4-pyridin-1-iumyl]methyl]-2,3-dihydropyrrolizin-1-one bromide IUPAC Name: 2-[hydroxy-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]methyl]-2,3-dihydropyrrolizin-1-one bromide Traditional Name: 2-[hydroxy-[1-(2-methylbenzyl)pyridin-1-ium-4-yl]methyl]-2,3-dihydropyrrolizin-1-one bromide Formula: C21H21BrN2O2 MolecularWeight: 413.30764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[N+]2=CC=C(C=C2)C(C3CN4C=CC=C4C3=O)O.[Br-]

Isomeric SMILES

CC1=CC=CC=C1C[N+]2=CC=C(C=C2)C(C3CN4C=CC=C4C3=O)O.[Br-]

InChI

InChI=1S/C21H21N2O2.BrH/c1-15-5-2-3-6-17(15)13-22-11-8-16(9-12-22)20(24)18-14-23-10-4-7-19(23)21(18)25;/h2-12,18,20,24H,13-14H2,1H3;1H/q+1;/p-1