4-tert-butyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-tert-butyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-tert-butyl-2-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-tert-butyl-2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-tert-butyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-tert-butyl-2-[(4-tosylpiperazin-1-ium-1-yl)methyl]phenol Formula: C22H31N2O3S+ MolecularWeight: 403.55814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)C(C)(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)C(C)(C)C)O

InChI

InChI=1S/C22H30N2O3S/c1-17-5-8-20(9-6-17)28(26,27)24-13-11-23(12-14-24)16-18-15-19(22(2,3)4)7-10-21(18)25/h5-10,15,25H,11-14,16H2,1-4H3/p+1