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

Systemtic Name: 1-methyl-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol; methyl sulfate Openeye Name: 1-methyl-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol; methyl sulfate CAS Name: 1-methyl-5-[(1-methyl-3-pyridin-1-iumyl)methyl]-4-indolol; methyl sulfate IUPAC Name: 1-methyl-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol; methyl sulfate Traditional Name: 1-methyl-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol; methyl sulfate Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=CC(=C2O)CC3=C[N+](=CC=C3)C.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C=CC2=C1C=CC(=C2O)CC3=C[N+](=CC=C3)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H16N2O.CH4O4S/c1-17-8-3-4-12(11-17)10-13-5-6-15-14(16(13)19)7-9-18(15)2;1-5-6(2,3)4/h3-9,11H,10H2,1-2H3;1H3,(H,2,3,4)