4-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]phenol

Systemtic Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]phenol Openeye Name: 4-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]phenol CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]phenol IUPAC Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]phenol Traditional Name: 4-(4-tosylpiperazin-1-ium-1-yl)phenol Formula: C17H21N2O3S+ MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S/c1-14-2-8-17(9-3-14)23(21,22)19-12-10-18(11-13-19)15-4-6-16(20)7-5-15/h2-9,20H,10-13H2,1H3/p+1