zinc 5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol dichloride

Systemtic Name: zinc 5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol dichloride Openeye Name: zinc 5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol dichloride CAS Name: zinc 5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol dichloride IUPAC Name: zinc 5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol dichloride Traditional Name: zinc 5,5-dimethyl-2-(3-methyl-3,4-dihydroisoquinolin-1-yl)cyclohexane-1,3-diol dichloride Formula: C18H25Cl2NO2Zn MolecularWeight: 423.7116

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2C(=N1)C3C(CC(CC3O)(C)C)O.[Cl-].[Cl-].[Zn+2]

Isomeric SMILES

CC1CC2=CC=CC=C2C(=N1)C3C(CC(CC3O)(C)C)O.[Cl-].[Cl-].[Zn+2]

InChI

InChI=1S/C18H25NO2.2ClH.Zn/c1-11-8-12-6-4-5-7-13(12)17(19-11)16-14(20)9-18(2,3)10-15(16)21;;;/h4-7,11,14-16,20-21H,8-10H2,1-3H3;2*1H;/q;;;+2/p-2