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

Systemtic Name: 1-[(1-methylpyridin-1-ium-2-yl)methyl]-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol; methyl sulfate Openeye Name: 1-[(1-methylpyridin-1-ium-2-yl)methyl]-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol; methyl sulfate CAS Name: 1-[(1-methyl-2-pyridin-1-iumyl)methyl]-5-[(1-methyl-3-pyridin-1-iumyl)methyl]-4-indolol; methyl sulfate IUPAC Name: 1-[(1-methylpyridin-1-ium-2-yl)methyl]-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol; methyl sulfate Traditional Name: 1-[(1-methylpyridin-1-ium-2-yl)methyl]-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol; methyl sulfate Formula: C24H29N3O9S2 MolecularWeight: 567.63176

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CC2=C(C3=C(C=C2)N(C=C3)CC4=CC=CC=[N+]4C)O.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)CC2=C(C3=C(C=C2)N(C=C3)CC4=CC=CC=[N+]4C)O.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C22H22N3O.2CH4O4S/c1-23-11-5-6-17(15-23)14-18-8-9-21-20(22(18)26)10-13-25(21)16-19-7-3-4-12-24(19)2;2*1-5-6(2,3)4/h3-13,15H,14,16H2,1-2H3;2*1H3,(H,2,3,4)/q+1;;/p-1