2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone

Systemtic Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone Openeye Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]ethanone CAS Name: 2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone Traditional Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]ethanone Formula: C20H23N2OS+ MolecularWeight: 339.47442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C)C

Isomeric SMILES

CC1=C([N+](=CC=C1)CC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C)C

InChI

InChI=1S/C20H23N2OS/c1-14-7-5-9-21(16(14)3)13-20(23)19-11-15(2)22(17(19)4)12-18-8-6-10-24-18/h5-11H,12-13H2,1-4H3/q+1