1-adamantyl-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-azanium chloride

Systemtic Name: 1-adamantyl-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-azanium chloride Openeye Name: 1-adamantyl-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-ammonium chloride CAS Name: 1-adamantyl-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylammonium chloride IUPAC Name: 1-adamantyl-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylazanium chloride Traditional Name: 1-adamantyl-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-ammonium chloride Formula: C27H41ClN2O2 MolecularWeight: 461.07964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC[NH+](C)C12CC3CC(C1)CC(C3)C2)(C#N)C4=CC(=C(C=C4)OC)OC.[Cl-]

Isomeric SMILES

CC(C)C(CCC[NH+](C)C12CC3CC(C1)CC(C3)C2)(C#N)C4=CC(=C(C=C4)OC)OC.[Cl-]

InChI

InChI=1S/C27H40N2O2.ClH/c1-19(2)27(18-28,23-7-8-24(30-4)25(14-23)31-5)9-6-10-29(3)26-15-20-11-21(16-26)13-22(12-20)17-26;/h7-8,14,19-22H,6,9-13,15-17H2,1-5H3;1H