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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCOC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCOC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-18(24)19-8-10-21(11-9-19)28(25,26)23-15-13-22(14-16-23)12-5-17-27-20-6-3-2-4-7-20/h2-4,6-11H,5,12-17H2,1H3/p+1