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

Systemtic Name: 7-methoxy-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]-7-methoxy-indan-1-one bromide CAS Name: 7-methoxy-2-[[1-(phenylmethyl)-4-pyridin-1-iumyl]methyl]-2,3-dihydroinden-1-one bromide IUPAC Name: 2-[(1-benzylpyridin-1-ium-4-yl)methyl]-7-methoxy-2,3-dihydroinden-1-one bromide Traditional Name: 2-[(1-benzylpyridin-1-ium-4-yl)methyl]-7-methoxy-indan-1-one bromide Formula: C23H22BrNO2 MolecularWeight: 424.33028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=O)C(C2)CC3=CC=[N+](C=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC=CC2=C1C(=O)C(C2)CC3=CC=[N+](C=C3)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H22NO2.BrH/c1-26-21-9-5-8-19-15-20(23(25)22(19)21)14-17-10-12-24(13-11-17)16-18-6-3-2-4-7-18;/h2-13,20H,14-16H2,1H3;1H/q+1;/p-1