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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C[N+](=CC=C1)C)C2=C(C3=C(C=C2)NC=C3)O.COS(=O)(=O)[O-]

Isomeric SMILES

CC(C1=C[N+](=CC=C1)C)C2=C(C3=C(C=C2)NC=C3)O.COS(=O)(=O)[O-]

InChI

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