5-methyl-4-propan-2-yl-2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 5-methyl-4-propan-2-yl-2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-isopropyl-5-methyl-2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol CAS Name: 5-methyl-4-propan-2-yl-2-[[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 5-methyl-4-propan-2-yl-2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-isopropyl-5-methyl-2-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Formula: C25H37N2O3S+ MolecularWeight: 445.63788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=C(C(=C3)C(C)C)C)O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=C(C(=C3)C(C)C)C)O)C)C

InChI

InChI=1S/C25H36N2O3S/c1-16(2)23-14-22(24(28)13-19(23)5)15-26-8-10-27(11-9-26)31(29,30)25-20(6)17(3)12-18(4)21(25)7/h12-14,16,28H,8-11,15H2,1-7H3/p+1