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

Systemtic Name: 1-[4-[4-[3-(3-methylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[3-(3-methylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[3-(3-methylphenoxy)propyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[3-(3-methylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[3-(3-methylphenoxy)propyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-18-5-3-6-21(17-18)28-16-4-11-23-12-14-24(15-13-23)29(26,27)22-9-7-20(8-10-22)19(2)25/h3,5-10,17H,4,11-16H2,1-2H3/p+1