1-[4-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[2-(3-methylphenoxy)ethyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[2-(3-methylphenoxy)ethyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H26N2O4S/c1-17-4-3-5-20(16-17)27-15-14-22-10-12-23(13-11-22)28(25,26)21-8-6-19(7-9-21)18(2)24/h3-9,16H,10-15H2,1-2H3/p+1