5-methoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one

Systemtic Name: 5-methoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one Openeye Name: 5-methoxy-2-(1-methylpyridin-1-ium-2-yl)indan-1-one CAS Name: 5-methoxy-2-(1-methyl-2-pyridin-1-iumyl)-2,3-dihydroinden-1-one IUPAC Name: 5-methoxy-2-(1-methylpyridin-1-ium-2-yl)-2,3-dihydroinden-1-one Traditional Name: 5-methoxy-2-(1-methylpyridin-1-ium-2-yl)indan-1-one Formula: C16H16NO2+ MolecularWeight: 254.30374

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C2CC3=C(C2=O)C=CC(=C3)OC

Isomeric SMILES

C[N+]1=CC=CC=C1C2CC3=C(C2=O)C=CC(=C3)OC

InChI

InChI=1S/C16H16NO2/c1-17-8-4-3-5-15(17)14-10-11-9-12(19-2)6-7-13(11)16(14)18/h3-9,14H,10H2,1-2H3/q+1