methanesulfonic acid; 4-[1-oxidanyl-2-(propan-2-ylamino)butyl]benzene-1,2-diol; hydrochloride

Systemtic Name: methanesulfonic acid; 4-[1-oxidanyl-2-(propan-2-ylamino)butyl]benzene-1,2-diol; hydrochloride Openeye Name: 4-[1-hydroxy-2-(isopropylamino)butyl]benzene-1,2-diol; methanesulfonic acid; hydrochloride CAS Name: 4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol; methanesulfonic acid; hydrochloride IUPAC Name: 4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol; methanesulfonic acid; hydrochloride Traditional Name: 4-[1-hydroxy-2-(isopropylamino)butyl]pyrocatechol; mesylic acid; hydrochloride Formula: C14H26ClNO6S MolecularWeight: 371.87734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C.CS(=O)(=O)O.Cl

Isomeric SMILES

CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C.CS(=O)(=O)O.Cl

InChI

InChI=1S/C13H21NO3.CH4O3S.ClH/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9;1-5(2,3)4;/h5-8,10,13-17H,4H2,1-3H3;1H3,(H,2,3,4);1H