2-[[1-(phenylmethyl)pyridin-1-ium-4-yl]methyl]-2,3-dihydroinden-1-one bromide

Systemtic Name: 2-[[1-(phenylmethyl)pyridin-1-ium-4-yl]methyl]-2,3-dihydroinden-1-one bromide Openeye Name: 2-[(1-benzylpyridin-1-ium-4-yl)methyl]indan-1-one bromide CAS Name: 2-[[1-(phenylmethyl)-4-pyridin-1-iumyl]methyl]-2,3-dihydroinden-1-one bromide IUPAC Name: 2-[(1-benzylpyridin-1-ium-4-yl)methyl]-2,3-dihydroinden-1-one bromide Traditional Name: 2-[(1-benzylpyridin-1-ium-4-yl)methyl]indan-1-one bromide Formula: C22H20BrNO MolecularWeight: 394.3043

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=CC=CC=C21)CC3=CC=[N+](C=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1C(C(=O)C2=CC=CC=C21)CC3=CC=[N+](C=C3)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H20NO.BrH/c24-22-20(15-19-8-4-5-9-21(19)22)14-17-10-12-23(13-11-17)16-18-6-2-1-3-7-18;/h1-13,20H,14-16H2;1H/q+1;/p-1