2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C19H27N4O3S2+ MolecularWeight: 423.57268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H26N4O3S2/c1-14-11-17(15(2)22(14)4)18(24)13-27-19-6-5-16(12-20-19)28(25,26)23-9-7-21(3)8-10-23/h5-6,11-12H,7-10,13H2,1-4H3/p+1