1-[2-(4-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[2-(4-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(4-methylphenoxy)ethyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[2-(4-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(4-methylphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[2-(4-methylphenoxy)ethyl]-4-tosyl-piperazin-1-ium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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