4-[[4-[5-chloranyl-1-[(2-methylpropan-2-yl)oxy]pyridin-1-ium-2-yl]oxyphenyl]sulfanylmethyl]oxane-2-carboxamide

Systemtic Name: 4-[[4-[5-chloranyl-1-[(2-methylpropan-2-yl)oxy]pyridin-1-ium-2-yl]oxyphenyl]sulfanylmethyl]oxane-2-carboxamide Openeye Name: 4-[[4-(1-tert-butoxy-5-chloro-pyridin-1-ium-2-yl)oxyphenyl]sulfanylmethyl]tetrahydropyran-2-carboxamide CAS Name: 4-[[[4-[[5-chloro-1-[(2-methylpropan-2-yl)oxy]-2-pyridin-1-iumyl]oxy]phenyl]thio]methyl]-2-oxanecarboxamide IUPAC Name: 4-[[4-[5-chloro-1-[(2-methylpropan-2-yl)oxy]pyridin-1-ium-2-yl]oxyphenyl]sulfanylmethyl]oxane-2-carboxamide Traditional Name: 4-[[[4-(1-tert-butoxy-5-chloro-pyridin-1-ium-2-yl)oxyphenyl]thio]methyl]tetrahydropyran-2-carboxamide Formula: C22H28ClN2O4S+ MolecularWeight: 451.98672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)O[N+]1=C(C=CC(=C1)Cl)OC2=CC=C(C=C2)SCC3CCOC(C3)C(=O)N

Isomeric SMILES

CC(C)(C)O[N+]1=C(C=CC(=C1)Cl)OC2=CC=C(C=C2)SCC3CCOC(C3)C(=O)N

InChI

InChI=1S/C22H27ClN2O4S/c1-22(2,3)29-25-13-16(23)4-9-20(25)28-17-5-7-18(8-6-17)30-14-15-10-11-27-19(12-15)21(24)26/h4-9,13,15,19H,10-12,14H2,1-3H3,(H-,24,26)/p+1