1-[3-(1-methyl-1H-imidazol-1-ium-2-yl)propyl]-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol; methyl sulfate

Systemtic Name: 1-[3-(1-methyl-1H-imidazol-1-ium-2-yl)propyl]-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol; methyl sulfate Openeye Name: 1-[3-(1-methyl-1H-imidazol-1-ium-2-yl)propyl]-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol; methyl sulfate CAS Name: 1-[3-(1-methyl-1H-imidazol-1-ium-2-yl)propyl]-5-[(1-methyl-3-pyridin-1-iumyl)methyl]-4-indolol; methyl sulfate IUPAC Name: 1-[3-(1-methyl-1H-imidazol-1-ium-2-yl)propyl]-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol; methyl sulfate Traditional Name: 1-[3-(1-methyl-1H-imidazol-1-ium-2-yl)propyl]-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol; methyl sulfate Formula: C24H32N4O9S2 MolecularWeight: 584.66228

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C=CN=C1CCCN2C=CC3=C2C=CC(=C3O)CC4=C[N+](=CC=C4)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

C[NH+]1C=CN=C1CCCN2C=CC3=C2C=CC(=C3O)CC4=C[N+](=CC=C4)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C22H24N4O.2CH4O4S/c1-24-11-3-5-17(16-24)15-18-7-8-20-19(22(18)27)9-13-26(20)12-4-6-21-23-10-14-25(21)2;2*1-5-6(2,3)4/h3,5,7-11,13-14,16H,4,6,12,15H2,1-2H3;2*1H3,(H,2,3,4)