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

Systemtic Name: methanesulfonate; 1-methyl-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol Openeye Name: methanesulfonate; 1-methyl-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol CAS Name: methanesulfonate; 1-methyl-5-[(1-methyl-3-pyridin-1-iumyl)methyl]-4-indolol IUPAC Name: methanesulfonate; 1-methyl-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol Traditional Name: 1-methyl-5-[(1-methylpyridin-1-ium-3-yl)methyl]indol-4-ol mesylate Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O.CH4O3S/c1-17-8-3-4-12(11-17)10-13-5-6-15-14(16(13)19)7-9-18(15)2;1-5(2,3)4/h3-9,11H,10H2,1-2H3;1H3,(H,2,3,4)