(2Z)-5,6-dimethoxy-2-[[1-(phenylmethyl)pyridin-1-ium-4-yl]methylidene]-3H-inden-1-one bromide

Systemtic Name: (2Z)-5,6-dimethoxy-2-[[1-(phenylmethyl)pyridin-1-ium-4-yl]methylidene]-3H-inden-1-one bromide Openeye Name: (2Z)-2-[(1-benzylpyridin-1-ium-4-yl)methylene]-5,6-dimethoxy-indan-1-one bromide CAS Name: (2Z)-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-pyridin-1-iumyl]methylidene]-3H-inden-1-one bromide IUPAC Name: (2Z)-2-[(1-benzylpyridin-1-ium-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-one bromide Traditional Name: (2Z)-2-[(1-benzylpyridin-1-ium-4-yl)methylene]-5,6-dimethoxy-indan-1-one bromide Formula: C24H22BrNO3 MolecularWeight: 452.34038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC(=CC3=CC=[N+](C=C3)CC4=CC=CC=C4)C2=O)OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C/C(=C/C3=CC=[N+](C=C3)CC4=CC=CC=C4)/C2=O)OC.[Br-]

InChI

InChI=1S/C24H22NO3.BrH/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;/h3-12,14-15H,13,16H2,1-2H3;1H/q+1;/p-1/b20-12-;