1-[2-(4-methoxyphenoxy)ethyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[2-(4-methoxyphenoxy)ethyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium CAS Name: 1-[2-(4-methoxyphenoxy)ethyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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