8-[3-[6-(methoxymethyl)-1-oxidanidyl-pyridin-1-ium-3-yl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline

Systemtic Name: 8-[3-[6-(methoxymethyl)-1-oxidanidyl-pyridin-1-ium-3-yl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline Openeye Name: 8-[3-[6-(methoxymethyl)-1-oxido-pyridin-1-ium-3-yl]phenyl]-6-(1-methyl-1-methylsulfonyl-ethyl)quinoline CAS Name: 8-[3-[6-(methoxymethyl)-1-oxido-3-pyridin-1-iumyl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline IUPAC Name: 8-[3-[6-(methoxymethyl)-1-oxidopyridin-1-ium-3-yl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline Traditional Name: 6-(1-mesyl-1-methyl-ethyl)-8-[3-[6-(methoxymethyl)-1-oxido-pyridin-1-ium-3-yl]phenyl]quinoline Formula: C26H26N2O4S MolecularWeight: 462.56064

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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+](=C(C=C4)COC)[O-])S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4S/c1-26(2,33(4,30)31)22-14-20-9-6-12-27-25(20)24(15-22)19-8-5-7-18(13-19)21-10-11-23(17-32-3)28(29)16-21/h5-16H,17H2,1-4H3