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

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-(2-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone Formula: C19H21N2OS+ MolecularWeight: 325.44784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C

InChI

InChI=1S/C19H21N2OS/c1-14-7-4-5-9-20(14)13-19(22)18-11-15(2)21(16(18)3)12-17-8-6-10-23-17/h4-11H,12-13H2,1-3H3/q+1