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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C[NH+]2CCN(CC2)CC3=CC(=C(C(=C3)C)O)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)C[NH+]2CCN(CC2)CC3=CC(=C(C(=C3)C)O)C

InChI

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