6-(2-methylsulfonylpropan-2-yl)-8-[3-(1-oxidanidylpyridin-1-ium-4-yl)phenyl]quinoline

Systemtic Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-(1-oxidanidylpyridin-1-ium-4-yl)phenyl]quinoline Openeye Name: 6-(1-methyl-1-methylsulfonyl-ethyl)-8-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]quinoline CAS Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-(1-oxido-4-pyridin-1-iumyl)phenyl]quinoline IUPAC Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]quinoline Traditional Name: 6-(1-mesyl-1-methyl-ethyl)-8-[3-(1-oxidopyridin-1-ium-4-yl)phenyl]quinoline Formula: C24H22N2O3S MolecularWeight: 418.50808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC=CC(=C3)C4=CC=[N+](C=C4)[O-])S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC=CC(=C3)C4=CC=[N+](C=C4)[O-])S(=O)(=O)C

InChI

InChI=1S/C24H22N2O3S/c1-24(2,30(3,28)29)21-15-20-8-5-11-25-23(20)22(16-21)19-7-4-6-18(14-19)17-9-12-26(27)13-10-17/h4-16H,1-3H3