2-[[4-[(2,4-dimethyl-6-oxidanyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-phenol

Systemtic Name: 2-[[4-[(2,4-dimethyl-6-oxidanyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-phenol Openeye Name: 2-[[4-[(2-hydroxy-4,6-dimethyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-phenol CAS Name: 2-[[4-[(2-hydroxy-4,6-dimethylphenyl)methyl]-1-piperazin-1-iumyl]methyl]-3,5-dimethylphenol IUPAC Name: 2-[[4-[(2-hydroxy-4,6-dimethylphenyl)methyl]piperazin-1-ium-1-yl]methyl]-3,5-dimethylphenol Traditional Name: 2-[[4-(2-hydroxy-4,6-dimethyl-benzyl)piperazin-1-ium-1-yl]methyl]-3,5-dimethyl-phenol Formula: C22H31N2O2+ MolecularWeight: 355.49374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)O)C[NH+]2CCN(CC2)CC3=C(C=C(C=C3O)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)O)C[NH+]2CCN(CC2)CC3=C(C=C(C=C3O)C)C)C

InChI

InChI=1S/C22H30N2O2/c1-15-9-17(3)19(21(25)11-15)13-23-5-7-24(8-6-23)14-20-18(4)10-16(2)12-22(20)26/h9-12,25-26H,5-8,13-14H2,1-4H3/p+1