2-[4-[2-(1-adamantyl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-[2-(1-adamantyl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-[2-(1-adamantyl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-[2-(1-adamantyl)-2-oxoethyl]-1-piperazin-4-iumyl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-[2-(1-adamantyl)-2-oxoethyl]piperazin-4-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-[2-(1-adamantyl)-2-keto-ethyl]piperazin-4-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C22H33N4O3+ MolecularWeight: 401.52242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN2CC[NH+](CC2)CC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN2CC[NH+](CC2)CC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H32N4O3/c1-15-6-20(24-29-15)23-21(28)14-26-4-2-25(3-5-26)13-19(27)22-10-16-7-17(11-22)9-18(8-16)12-22/h6,16-18H,2-5,7-14H2,1H3,(H,23,24,28)/p+1