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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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