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

Systemtic Name: 6-bromanyl-3-[1,3-dimethyl-4-(1-methylindol-3-yl)imidazol-1-ium-2-yl]-1-methyl-indole; methyl sulfate Openeye Name: 6-bromo-3-[1,3-dimethyl-4-(1-methylindol-3-yl)imidazol-1-ium-2-yl]-1-methyl-indole; methyl sulfate CAS Name: 6-bromo-3-[1,3-dimethyl-4-(1-methyl-3-indolyl)-2-imidazol-1-iumyl]-1-methylindole; methyl sulfate IUPAC Name: 6-bromo-3-[1,3-dimethyl-4-(1-methylindol-3-yl)imidazol-1-ium-2-yl]-1-methylindole; methyl sulfate Traditional Name: 6-bromo-3-[1,3-dimethyl-4-(1-methylindol-3-yl)imidazol-1-ium-2-yl]-1-methyl-indole; methyl sulfate Formula: C24H25BrN4O4S MolecularWeight: 545.4487

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=C[N+](=C(N3C)C4=CN(C5=C4C=CC(=C5)Br)C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=C[N+](=C(N3C)C4=CN(C5=C4C=CC(=C5)Br)C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C23H22BrN4.CH4O4S/c1-25-12-18(16-7-5-6-8-20(16)25)22-14-27(3)23(28(22)4)19-13-26(2)21-11-15(24)9-10-17(19)21;1-5-6(2,3)4/h5-14H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1