1-(2,5-dimethoxyphenyl)sulfonyl-4-[3-(3,5-dimethylphenoxy)propyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[3-(3,5-dimethylphenoxy)propyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[3-(3,5-dimethylphenoxy)propyl]piperazin-4-ium CAS Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[3-(3,5-dimethylphenoxy)propyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[3-(3,5-dimethylphenoxy)propyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-[3-(3,5-dimethylphenoxy)propyl]piperazin-4-ium Formula: C23H33N2O5S+ MolecularWeight: 449.58352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC)C

InChI

InChI=1S/C23H32N2O5S/c1-18-14-19(2)16-21(15-18)30-13-5-8-24-9-11-25(12-10-24)31(26,27)23-17-20(28-3)6-7-22(23)29-4/h6-7,14-17H,5,8-13H2,1-4H3/p+1