tert-butyl 4-(4-but-2-ynoxyphenyl)sulfanyl-1-methanoyl-4-(oxidanylcarbamoyl)piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfanyl-1-methanoyl-4-(oxidanylcarbamoyl)piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfanyl-1-formyl-4-(hydroxycarbamoyl)piperidin-1-ium-1-carboxylate CAS Name: 4-[(4-but-2-ynoxyphenyl)thio]-1-formyl-4-[(hydroxyamino)-oxomethyl]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-but-2-ynoxyphenyl)sulfanyl-1-formyl-4-(hydroxycarbamoyl)piperidin-1-ium-1-carboxylate Traditional Name: 4-[(4-but-2-ynoxyphenyl)thio]-1-formyl-4-(hydroxycarbamoyl)piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C22H29N2O6S+ MolecularWeight: 449.54046

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC2(CC[N+](CC2)(C=O)C(=O)OC(C)(C)C)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC2(CC[N+](CC2)(C=O)C(=O)OC(C)(C)C)C(=O)NO

InChI

InChI=1S/C22H28N2O6S/c1-5-6-15-29-17-7-9-18(10-8-17)31-22(19(26)23-28)11-13-24(16-25,14-12-22)20(27)30-21(2,3)4/h7-10,16H,11-15H2,1-4H3,(H-,23,26,28)/p+1