4-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[4-(2-adamantyl)-1-piperazin-4-iumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 4-[[4-(2-adamantyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol Formula: C23H35N2O3+ MolecularWeight: 387.5356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H34N2O3/c1-27-20-12-17(13-21(28-2)23(20)26)14-24-3-5-25(6-4-24)22-18-8-15-7-16(10-18)11-19(22)9-15/h12-13,15-16,18-19,22,26H,3-11,14H2,1-2H3/p+1