2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]-N-butyl-ethanamide Openeye Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-butyl-acetamide CAS Name: 2-[4-[1-adamantyl(oxo)methyl]-1-piperazin-1-iumyl]-N-butylacetamide IUPAC Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-butylacetamide Traditional Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-butyl-acetamide Formula: C21H36N3O2+ MolecularWeight: 362.52944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H35N3O2/c1-2-3-4-22-19(25)15-23-5-7-24(8-6-23)20(26)21-12-16-9-17(13-21)11-18(10-16)14-21/h16-18H,2-15H2,1H3,(H,22,25)/p+1