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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O.2CH4O4S/c1-24-12-7-17(8-13-24)16-18-5-6-20-19(22(18)27)9-14-26(20)11-3-4-21-23-10-15-25(21)2;2*1-5-6(2,3)4/h5-10,12-15H,3-4,11,16H2,1-2H3;2*1H3,(H,2,3,4)