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

Systemtic Name: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[2-(4-ethoxyphenoxy)ethyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[2-(4-ethoxyphenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[2-(4-ethoxyphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-besyl-4-[2-(4-ethoxyphenoxy)ethyl]piperazin-4-ium Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O4S/c1-2-25-18-8-10-19(11-9-18)26-17-16-21-12-14-22(15-13-21)27(23,24)20-6-4-3-5-7-20/h3-11H,2,12-17H2,1H3/p+1