2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C19H25FN3O3S+ MolecularWeight: 394.483503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H24FN3O3S/c1-14-12-18(15(2)21(14)3)19(24)13-22-8-10-23(11-9-22)27(25,26)17-6-4-16(20)5-7-17/h4-7,12H,8-11,13H2,1-3H3/p+1