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

Systemtic Name: 7-[oxidanyl-[1-(phenylmethyl)pyridin-1-ium-4-yl]methyl]-6,7-dihydro-5H-indolizin-8-one bromide Openeye Name: 7-[(1-benzylpyridin-1-ium-4-yl)-hydroxy-methyl]-6,7-dihydro-5H-indolizin-8-one bromide CAS Name: 7-[hydroxy-[1-(phenylmethyl)-4-pyridin-1-iumyl]methyl]-6,7-dihydro-5H-indolizin-8-one bromide IUPAC Name: 7-[(1-benzylpyridin-1-ium-4-yl)-hydroxymethyl]-6,7-dihydro-5H-indolizin-8-one bromide Traditional Name: 7-[(1-benzylpyridin-1-ium-4-yl)-hydroxy-methyl]-6,7-dihydro-5H-indolizin-8-one bromide Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N2O2.BrH/c24-20(18-10-14-23-11-4-7-19(23)21(18)25)17-8-12-22(13-9-17)15-16-5-2-1-3-6-16;/h1-9,11-13,18,20,24H,10,14-15H2;1H/q+1;/p-1