2-[3-methyl-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1-oxidanidyl-pyridin-1-ium-2-yl]propan-2-ol

Systemtic Name: 2-[3-methyl-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1-oxidanidyl-pyridin-1-ium-2-yl]propan-2-ol Openeye Name: 2-[3-methyl-5-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]-1-oxido-pyridin-1-ium-2-yl]propan-2-ol CAS Name: 2-[3-methyl-5-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]-1-oxido-2-pyridin-1-iumyl]-2-propanol IUPAC Name: 2-[3-methyl-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1-oxidopyridin-1-ium-2-yl]propan-2-ol Traditional Name: 2-[5-[3-[6-(1-mesyl-1-methyl-ethyl)-8-quinolyl]phenyl]-3-methyl-1-oxido-pyridin-1-ium-2-yl]propan-2-ol Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC(=C1)C2=CC(=CC=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)[O-])C(C)(C)O

Isomeric SMILES

CC1=C([N+](=CC(=C1)C2=CC(=CC=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)[O-])C(C)(C)O

InChI

InChI=1S/C28H30N2O4S/c1-18-13-22(17-30(32)26(18)27(2,3)31)19-9-7-10-20(14-19)24-16-23(28(4,5)35(6,33)34)15-21-11-8-12-29-25(21)24/h7-17,31H,1-6H3