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

Systemtic Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-(1-oxidanidylquinolin-1-ium-3-yl)phenyl]quinoline Openeye Name: 6-(1-methyl-1-methylsulfonyl-ethyl)-8-[3-(1-oxidoquinolin-1-ium-3-yl)phenyl]quinoline CAS Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-(1-oxido-3-quinolin-1-iumyl)phenyl]quinoline IUPAC Name: 6-(2-methylsulfonylpropan-2-yl)-8-[3-(1-oxidoquinolin-1-ium-3-yl)phenyl]quinoline Traditional Name: 6-(1-mesyl-1-methyl-ethyl)-8-[3-(1-oxidoquinolin-1-ium-3-yl)phenyl]quinoline Formula: C28H24N2O3S MolecularWeight: 468.56676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC=CC(=C3)C4=CC5=CC=CC=C5[N+](=C4)[O-])S(=O)(=O)C

Isomeric SMILES

CC(C)(C1=CC(=C2C(=C1)C=CC=N2)C3=CC=CC(=C3)C4=CC5=CC=CC=C5[N+](=C4)[O-])S(=O)(=O)C

InChI

InChI=1S/C28H24N2O3S/c1-28(2,34(3,32)33)24-16-22-11-7-13-29-27(22)25(17-24)20-10-6-9-19(14-20)23-15-21-8-4-5-12-26(21)30(31)18-23/h4-18H,1-3H3