4-(2-azanylethyl)-3-[2-(4-methyl-3-oxidanyl-phenyl)ethyl]benzene-1,2-diol hydrochloride

Systemtic Name: 4-(2-azanylethyl)-3-[2-(4-methyl-3-oxidanyl-phenyl)ethyl]benzene-1,2-diol hydrochloride Openeye Name: 4-(2-aminoethyl)-3-[2-(3-hydroxy-4-methyl-phenyl)ethyl]benzene-1,2-diol hydrochloride CAS Name: 4-(2-aminoethyl)-3-[2-(3-hydroxy-4-methylphenyl)ethyl]benzene-1,2-diol hydrochloride IUPAC Name: 4-(2-aminoethyl)-3-[2-(3-hydroxy-4-methylphenyl)ethyl]benzene-1,2-diol hydrochloride Traditional Name: 4-(2-aminoethyl)-3-[2-(3-hydroxy-4-methyl-phenyl)ethyl]pyrocatechol hydrochloride Formula: C17H22ClNO3 MolecularWeight: 323.81448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC2=C(C=CC(=C2O)O)CCN)O.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC2=C(C=CC(=C2O)O)CCN)O.Cl

InChI

InChI=1S/C17H21NO3.ClH/c1-11-2-3-12(10-16(11)20)4-6-14-13(8-9-18)5-7-15(19)17(14)21;/h2-3,5,7,10,19-21H,4,6,8-9,18H2,1H3;1H