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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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