2-[4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[2-(2,5-dimethylphenyl)sulfonylethyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium-1-yl]phenol Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C20H26N2O3S/c1-16-7-8-17(2)20(15-16)26(24,25)14-13-21-9-11-22(12-10-21)18-5-3-4-6-19(18)23/h3-8,15,23H,9-14H2,1-2H3/p+1