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

Systemtic Name: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[2-(4-ethoxyphenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[2-(4-ethoxyphenoxy)ethyl]-4-tosyl-piperazin-1-ium Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O4S/c1-3-26-19-6-8-20(9-7-19)27-17-16-22-12-14-23(15-13-22)28(24,25)21-10-4-18(2)5-11-21/h4-11H,3,12-17H2,1-2H3/p+1