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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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