1-[4-(4-phenethylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanone

Systemtic Name: 1-[4-(4-phenethylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanone Openeye Name: 1-[4-(4-phenethylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanone CAS Name: 1-[4-[(4-phenethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-(4-phenethylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanone Traditional Name: 1-[4-(4-phenethylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanone Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S/c1-17(23)19-7-9-20(10-8-19)26(24,25)22-15-13-21(14-16-22)12-11-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3/p+1