N-(1-adamantyl)-N-(2-cyanoethyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(1-adamantyl)-N-(2-cyanoethyl)acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-(1-adamantyl)-N-(2-cyanoethyl)acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(1-adamantyl)-N-(2-cyanoethyl)acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-(1-adamantyl)-N-(2-cyanoethyl)acetamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H32N4O2/c1-16(26)24-7-5-23(6-8-24)15-20(27)25(4-2-3-22)21-12-17-9-18(13-21)11-19(10-17)14-21/h17-19H,2,4-15H2,1H3/p+1