2-[4-(1-adamantyl)piperazin-1-ium-1-yl]-N-(4-chloranyl-2,5-dimethoxy-phenyl)ethanamide

Systemtic Name: 2-[4-(1-adamantyl)piperazin-1-ium-1-yl]-N-(4-chloranyl-2,5-dimethoxy-phenyl)ethanamide Openeye Name: 2-[4-(1-adamantyl)piperazin-1-ium-1-yl]-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide CAS Name: 2-[4-(1-adamantyl)-1-piperazin-1-iumyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-(1-adamantyl)piperazin-1-ium-1-yl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[4-(1-adamantyl)piperazin-1-ium-1-yl]-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide Formula: C24H35ClN3O3+ MolecularWeight: 449.006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C34CC5CC(C3)CC(C5)C4)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C34CC5CC(C3)CC(C5)C4)OC)Cl

InChI

InChI=1S/C24H34ClN3O3/c1-30-21-11-20(22(31-2)10-19(21)25)26-23(29)15-27-3-5-28(6-4-27)24-12-16-7-17(13-24)9-18(8-16)14-24/h10-11,16-18H,3-9,12-15H2,1-2H3,(H,26,29)/p+1