4-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(4-tert-butyl-2,6-dimethylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: 4-(4-tert-butyl-2,6-dimethyl-benzyl)piperazin-4-ium-2-one Formula: C17H27N2O+ MolecularWeight: 275.40908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C[NH+]2CCNC(=O)C2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1C[NH+]2CCNC(=O)C2)C)C(C)(C)C

InChI

InChI=1S/C17H26N2O/c1-12-8-14(17(3,4)5)9-13(2)15(12)10-19-7-6-18-16(20)11-19/h8-9H,6-7,10-11H2,1-5H3,(H,18,20)/p+1