2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-ethanamide

Systemtic Name: 2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-ethanamide Openeye Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-[2-(tert-butylamino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: 2-[4-[1-adamantyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide IUPAC Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide Traditional Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-N-[2-(tert-butylamino)-2-keto-ethyl]-N-methyl-acetamide Formula: C24H41N4O3+ MolecularWeight: 433.60734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40N4O3/c1-23(2,3)25-20(29)15-26(4)21(30)16-27-5-7-28(8-6-27)22(31)24-12-17-9-18(13-24)11-19(10-17)14-24/h17-19H,5-16H2,1-4H3,(H,25,29)/p+1