1-[3-(4-methoxyphenoxy)propyl]-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[3-(4-methoxyphenoxy)propyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium Traditional Name: 1-besyl-4-[3-(4-methoxyphenoxy)propyl]piperazin-4-ium Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OCCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O4S/c1-25-18-8-10-19(11-9-18)26-17-5-12-21-13-15-22(16-14-21)27(23,24)20-6-3-2-4-7-20/h2-4,6-11H,5,12-17H2,1H3/p+1