2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C17H24N3O3S2+ MolecularWeight: 382.52076

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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=CS3

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H23N3O3S2/c1-13-11-15(14(2)18(13)3)16(21)12-19-6-8-20(9-7-19)25(22,23)17-5-4-10-24-17/h4-5,10-11H,6-9,12H2,1-3H3/p+1