2-(1-ethylpyridin-1-ium-2-yl)-5,6-dimethoxy-2,3-dihydroinden-1-one bromide

Systemtic Name: 2-(1-ethylpyridin-1-ium-2-yl)-5,6-dimethoxy-2,3-dihydroinden-1-one bromide Openeye Name: 2-(1-ethylpyridin-1-ium-2-yl)-5,6-dimethoxy-indan-1-one bromide CAS Name: 2-(1-ethyl-2-pyridin-1-iumyl)-5,6-dimethoxy-2,3-dihydroinden-1-one bromide IUPAC Name: 2-(1-ethylpyridin-1-ium-2-yl)-5,6-dimethoxy-2,3-dihydroinden-1-one bromide Traditional Name: 2-(1-ethylpyridin-1-ium-2-yl)-5,6-dimethoxy-indan-1-one bromide Formula: C18H20BrNO3 MolecularWeight: 378.2603

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC=C1C2CC3=CC(=C(C=C3C2=O)OC)OC.[Br-]

Isomeric SMILES

CC[N+]1=CC=CC=C1C2CC3=CC(=C(C=C3C2=O)OC)OC.[Br-]

InChI

InChI=1S/C18H20NO3.BrH/c1-4-19-8-6-5-7-15(19)14-9-12-10-16(21-2)17(22-3)11-13(12)18(14)20;/h5-8,10-11,14H,4,9H2,1-3H3;1H/q+1;/p-1