N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)C[NH+]2CCNC(=O)C2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)C[NH+]2CCNC(=O)C2)C)C(C)(C)C

InChI

InChI=1S/C20H31N3O2/c1-14-10-16(20(3,4)5)11-15(2)17(14)6-7-21-18(24)12-23-9-8-22-19(25)13-23/h10-11H,6-9,12-13H2,1-5H3,(H,21,24)(H,22,25)/p+1