1-(4-ethoxyphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-4-[2-(2-methylphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-[2-(2-methylphenoxy)ethyl]-4-p-phenetylsulfonyl-piperazin-1-ium Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3C

InChI

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