(2Z)-5,6-dimethoxy-2-(1-methyl-1H-pyridin-1-ium-2-ylidene)-3H-inden-1-one bromide

Systemtic Name: (2Z)-5,6-dimethoxy-2-(1-methyl-1H-pyridin-1-ium-2-ylidene)-3H-inden-1-one bromide Openeye Name: (2Z)-5,6-dimethoxy-2-(1-methyl-1H-pyridin-1-ium-2-ylidene)indan-1-one bromide CAS Name: (2Z)-5,6-dimethoxy-2-(1-methyl-1H-pyridin-1-ium-2-ylidene)-3H-inden-1-one bromide IUPAC Name: (2Z)-5,6-dimethoxy-2-(1-methyl-1H-pyridin-1-ium-2-ylidene)-3H-inden-1-one bromide Traditional Name: (2Z)-5,6-dimethoxy-2-(1-methyl-1H-pyridin-1-ium-2-ylidene)indan-1-one bromide Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C=CC=CC1=C2CC3=CC(=C(C=C3C2=O)OC)OC.[Br-]

Isomeric SMILES

C[NH+]\1C=CC=C/C1=C/2\CC3=CC(=C(C=C3C2=O)OC)OC.[Br-]

InChI

InChI=1S/C17H17NO3.BrH/c1-18-7-5-4-6-14(18)13-8-11-9-15(20-2)16(21-3)10-12(11)17(13)19;/h4-7,9-10H,8H2,1-3H3;1H/b14-13-;