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

Systemtic Name: 4-[[4-[1-[(2-methylpropan-2-yl)oxy]pyridin-1-ium-4-yl]oxyphenyl]sulfanylmethyl]oxane-2-carboxamide Openeye Name: 4-[[4-(1-tert-butoxypyridin-1-ium-4-yl)oxyphenyl]sulfanylmethyl]tetrahydropyran-2-carboxamide CAS Name: 4-[[[4-[[1-[(2-methylpropan-2-yl)oxy]-4-pyridin-1-iumyl]oxy]phenyl]thio]methyl]-2-oxanecarboxamide IUPAC Name: 4-[[4-[1-[(2-methylpropan-2-yl)oxy]pyridin-1-ium-4-yl]oxyphenyl]sulfanylmethyl]oxane-2-carboxamide Traditional Name: 4-[[[4-(1-tert-butoxypyridin-1-ium-4-yl)oxyphenyl]thio]methyl]tetrahydropyran-2-carboxamide Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-22(2,3)28-24-11-8-18(9-12-24)27-17-4-6-19(7-5-17)29-15-16-10-13-26-20(14-16)21(23)25/h4-9,11-12,16,20H,10,13-15H2,1-3H3,(H-,23,25)/p+1