2-[4-[(4,5-dimethyl-2-oxidanyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[(4,5-dimethyl-2-oxidanyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(2-hydroxy-4,5-dimethyl-phenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(2-hydroxy-4,5-dimethylphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(2-hydroxy-4,5-dimethylphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-4,5-dimethyl-benzyl)piperazin-1-ium-1-yl]acetamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)CC3=C(C=C(C(=C3)C)C)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)CC3=C(C=C(C(=C3)C)C)O

InChI

InChI=1S/C23H31N3O2/c1-16-6-5-7-17(2)23(16)24-22(28)15-26-10-8-25(9-11-26)14-20-12-18(3)19(4)13-21(20)27/h5-7,12-13,27H,8-11,14-15H2,1-4H3,(H,24,28)/p+1