2-[2-(2-azanylethyl)-5-oxidanyl-cyclohexyl]-5-(2-methyloctan-2-yl)phenol hydrochloride

Systemtic Name: 2-[2-(2-azanylethyl)-5-oxidanyl-cyclohexyl]-5-(2-methyloctan-2-yl)phenol hydrochloride Openeye Name: 2-[2-(2-aminoethyl)-5-hydroxy-cyclohexyl]-5-(1,1-dimethylheptyl)phenol hydrochloride CAS Name: 2-[2-(2-aminoethyl)-5-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol hydrochloride IUPAC Name: 2-[2-(2-aminoethyl)-5-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol hydrochloride Traditional Name: 2-[2-(2-aminoethyl)-5-hydroxy-cyclohexyl]-5-(1,1-dimethylheptyl)phenol hydrochloride Formula: C23H40ClNO2 MolecularWeight: 398.0222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2CCN)O)O.Cl

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2CCN)O)O.Cl

InChI

InChI=1S/C23H39NO2.ClH/c1-4-5-6-7-13-23(2,3)18-9-11-20(22(26)15-18)21-16-19(25)10-8-17(21)12-14-24;/h9,11,15,17,19,21,25-26H,4-8,10,12-14,16,24H2,1-3H3;1H