(5Z)-5-[[6-bromanyl-1-(methoxymethyl)indol-3-yl]methylidene]-1,3-dimethyl-2-methylsulfanyl-imidazol-3-ium-4-one

Systemtic Name: (5Z)-5-[[6-bromanyl-1-(methoxymethyl)indol-3-yl]methylidene]-1,3-dimethyl-2-methylsulfanyl-imidazol-3-ium-4-one Openeye Name: (5Z)-5-[[6-bromo-1-(methoxymethyl)indol-3-yl]methylene]-1,3-dimethyl-2-methylsulfanyl-imidazol-3-ium-4-one CAS Name: (5Z)-5-[[6-bromo-1-(methoxymethyl)-3-indolyl]methylidene]-1,3-dimethyl-2-(methylthio)-4-imidazol-3-iumone IUPAC Name: (5Z)-5-[[6-bromo-1-(methoxymethyl)indol-3-yl]methylidene]-1,3-dimethyl-2-methylsulfanylimidazol-3-ium-4-one Traditional Name: (5Z)-5-[[6-bromo-1-(methoxymethyl)indol-3-yl]methylene]-1,3-dimethyl-2-(methylthio)-2-imidazolin-3-ium-4-one Formula: C17H19BrN3O2S+ MolecularWeight: 409.32066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=CN(C3=C2C=CC(=C3)Br)COC)C(=O)[N+](=C1SC)C

Isomeric SMILES

CN1/C(=C\C2=CN(C3=C2C=CC(=C3)Br)COC)/C(=O)[N+](=C1SC)C

InChI

InChI=1S/C17H19BrN3O2S/c1-19-15(16(22)20(2)17(19)24-4)7-11-9-21(10-23-3)14-8-12(18)5-6-13(11)14/h5-9H,10H2,1-4H3/q+1/b15-7-