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

Systemtic Name: 5-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]-5-methoxy-indan-1-one bromide CAS Name: 5-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]-5-methoxy-2,3-dihydroinden-1-one bromide Traditional Name: 2-[(1-benzylpyridin-1-ium-4-yl)methyl]-5-methoxy-indan-1-one bromide Formula: C23H22BrNO2 MolecularWeight: 424.33028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C(C2)CC3=CC=[N+](C=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)C(C2)CC3=CC=[N+](C=C3)CC4=CC=CC=C4.[Br-]

InChI

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