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

Systemtic Name: 2-[5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1-oxidanidyl-pyridin-1-ium-2-yl]propan-2-ol Openeye Name: 2-[5-[3-[6-(1-methyl-1-methylsulfonyl-ethyl)-8-quinolyl]phenyl]-1-oxido-pyridin-1-ium-2-yl]propan-2-ol CAS Name: 2-[5-[3-[6-(2-methylsulfonylpropan-2-yl)-8-quinolinyl]phenyl]-1-oxido-2-pyridin-1-iumyl]-2-propanol IUPAC Name: 2-[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]-1-oxido-pyridin-1-ium-2-yl]propan-2-ol Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O4S/c1-26(2,30)24-12-11-21(17-29(24)31)18-8-6-9-19(14-18)23-16-22(27(3,4)34(5,32)33)15-20-10-7-13-28-25(20)23/h6-17,30H,1-5H3