N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]acetamide Formula: C22H36N3O2+ MolecularWeight: 374.54014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)C[NH+]2CCN(CC2)C(=O)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)C[NH+]2CCN(CC2)C(=O)C)C)C(C)(C)C

InChI

InChI=1S/C22H35N3O2/c1-16-13-19(22(4,5)6)14-17(2)20(16)7-8-23-21(27)15-24-9-11-25(12-10-24)18(3)26/h13-14H,7-12,15H2,1-6H3,(H,23,27)/p+1