(4-azanyl-2-oxidanyl-butyl) 4-methylbenzenesulfonate hydrochloride

Systemtic Name: (4-azanyl-2-oxidanyl-butyl) 4-methylbenzenesulfonate hydrochloride Openeye Name: (4-amino-2-hydroxy-butyl) 4-methylbenzenesulfonate hydrochloride CAS Name: 4-methylbenzenesulfonic acid (4-amino-2-hydroxybutyl) ester hydrochloride IUPAC Name: (4-amino-2-hydroxybutyl) 4-methylbenzenesulfonate hydrochloride Traditional Name: 4-methylbenzenesulfonic acid (4-amino-2-hydroxy-butyl) ester hydrochloride Formula: C11H18ClNO4S MolecularWeight: 295.78292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCN)O.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCN)O.Cl

InChI

InChI=1S/C11H17NO4S.ClH/c1-9-2-4-11(5-3-9)17(14,15)16-8-10(13)6-7-12;/h2-5,10,13H,6-8,12H2,1H3;1H