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

Systemtic Name: 1-[2-(2-methylphenoxy)ethyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-besyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium Formula: C19H25N2O3S+ MolecularWeight: 361.4784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H24N2O3S/c1-17-7-5-6-10-19(17)24-16-15-20-11-13-21(14-12-20)25(22,23)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3/p+1