2,6-dimethoxy-4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 2,6-dimethoxy-4-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]phenol Formula: C22H31N2O5S+ MolecularWeight: 435.55694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5S/c1-16(2)18-5-7-19(8-6-18)30(26,27)24-11-9-23(10-12-24)15-17-13-20(28-3)22(25)21(14-17)29-4/h5-8,13-14,16,25H,9-12,15H2,1-4H3/p+1