6-(aminomethyl)-2,2-dimethyl-N-oxidanyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxamide; but-2-ynoxybenzene; hydrochloride

Systemtic Name: 6-(aminomethyl)-2,2-dimethyl-N-oxidanyl-4-sulfonyl-thiomorpholin-4-ium-3-carboxamide; but-2-ynoxybenzene; hydrochloride Openeye Name: 6-(aminomethyl)-2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carbohydroxamic acid; but-2-ynoxybenzene; hydrochloride CAS Name: 6-(aminomethyl)-N-hydroxy-2,2-dimethyl-4-sulfonyl-3-thiomorpholin-4-iumcarboxamide; but-2-ynoxybenzene; hydrochloride IUPAC Name: 6-(aminomethyl)-N-hydroxy-2,2-dimethyl-4-sulfonylthiomorpholin-4-ium-3-carboxamide; but-2-ynoxybenzene; hydrochloride Traditional Name: 6-(aminomethyl)-2,2-dimethyl-4-sulfonyl-thiomorpholin-4-ium-3-carbohydroxamic acid; but-2-ynoxybenzene; hydrochloride Formula: C18H27ClN3O5S2+ MolecularWeight: 465.00708

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.CC1(C([N+](=S(=O)=O)CC(S1)CN)C(=O)NO)C.Cl

Isomeric SMILES

CC#CCOC1=CC=CC=C1.CC1(C([N+](=S(=O)=O)CC(S1)CN)C(=O)NO)C.Cl

InChI

InChI=1S/C10H10O.C8H15N3O4S2.ClH/c1-2-3-9-11-10-7-5-4-6-8-10;1-8(2)6(7(12)10-13)11(17(14)15)4-5(3-9)16-8;/h4-8H,9H2,1H3;5-6H,3-4,9H2,1-2H3,(H-,10,12,13);1H/p+1