2,2,3-trimethyl-4-[4-(1-oxidanidylpyridin-1-ium-4-yl)oxyphenyl]sulfonyl-thiomorpholine

Systemtic Name: 2,2,3-trimethyl-4-[4-(1-oxidanidylpyridin-1-ium-4-yl)oxyphenyl]sulfonyl-thiomorpholine Openeye Name: 2,2,3-trimethyl-4-[4-(1-oxidopyridin-1-ium-4-yl)oxyphenyl]sulfonyl-thiomorpholine CAS Name: 2,2,3-trimethyl-4-[4-[(1-oxido-4-pyridin-1-iumyl)oxy]phenyl]sulfonylthiomorpholine IUPAC Name: 2,2,3-trimethyl-4-[4-(1-oxidopyridin-1-ium-4-yl)oxyphenyl]sulfonylthiomorpholine Traditional Name: 2,2,3-trimethyl-4-[4-(1-oxidopyridin-1-ium-4-yl)oxyphenyl]sulfonyl-thiomorpholine Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(SCCN1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=[N+](C=C3)[O-])(C)C

Isomeric SMILES

CC1C(SCCN1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=[N+](C=C3)[O-])(C)C

InChI

InChI=1S/C18H22N2O4S2/c1-14-18(2,3)25-13-12-20(14)26(22,23)17-6-4-15(5-7-17)24-16-8-10-19(21)11-9-16/h4-11,14H,12-13H2,1-3H3