6-bromanyl-3-[4-(1H-indol-3-yl)-1,3-dimethyl-imidazol-1-ium-2-yl]-1-methyl-indole; methyl sulfate

Systemtic Name: 6-bromanyl-3-[4-(1H-indol-3-yl)-1,3-dimethyl-imidazol-1-ium-2-yl]-1-methyl-indole; methyl sulfate Openeye Name: 6-bromo-3-[4-(1H-indol-3-yl)-1,3-dimethyl-imidazol-1-ium-2-yl]-1-methyl-indole; methyl sulfate CAS Name: 6-bromo-3-[4-(1H-indol-3-yl)-1,3-dimethyl-2-imidazol-1-iumyl]-1-methylindole; methyl sulfate IUPAC Name: 6-bromo-3-[4-(1H-indol-3-yl)-1,3-dimethylimidazol-1-ium-2-yl]-1-methylindole; methyl sulfate Traditional Name: 6-bromo-3-[4-(1H-indol-3-yl)-1,3-dimethyl-imidazol-1-ium-2-yl]-1-methyl-indole; methyl sulfate Formula: C23H23BrN4O4S MolecularWeight: 531.42212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)Br)C3=[N+](C=C(N3C)C4=CNC5=CC=CC=C54)C.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)Br)C3=[N+](C=C(N3C)C4=CNC5=CC=CC=C54)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H20BrN4.CH4O4S/c1-25-12-18(16-9-8-14(23)10-20(16)25)22-26(2)13-21(27(22)3)17-11-24-19-7-5-4-6-15(17)19;1-5-6(2,3)4/h4-13,24H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1