2-[cyclohexyl(2-hydroxyethyl)amino]ethanol; 4-methylbenzenesulfonic acid; hydrochloride

Systemtic Name: 2-[cyclohexyl(2-hydroxyethyl)amino]ethanol; 4-methylbenzenesulfonic acid; hydrochloride Openeye Name: 2-[cyclohexyl(2-hydroxyethyl)amino]ethanol; 4-methylbenzenesulfonic acid; hydrochloride CAS Name: 2-[cyclohexyl(2-hydroxyethyl)amino]ethanol; 4-methylbenzenesulfonic acid; hydrochloride IUPAC Name: 2-[cyclohexyl(2-hydroxyethyl)amino]ethanol; 4-methylbenzenesulfonic acid; hydrochloride Traditional Name: 2-[cyclohexyl(2-hydroxyethyl)amino]ethanol; tosylic acid; hydrochloride Formula: C24H38ClNO8S2 MolecularWeight: 568.14342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)N(CCO)CCO.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(CC1)N(CCO)CCO.Cl

InChI

InChI=1S/C10H21NO2.2C7H8O3S.ClH/c12-8-6-11(7-9-13)10-4-2-1-3-5-10;2*1-6-2-4-7(5-3-6)11(8,9)10;/h10,12-13H,1-9H2;2*2-5H,1H3,(H,8,9,10);1H