1-[2-(3-methylphenoxy)ethyl]-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[2-(3-methylphenoxy)ethyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-besyl-4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium Formula: C19H25N2O3S+ MolecularWeight: 361.4784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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