1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(4-ethylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(4-ethylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-(4-ethylpyridin-1-ium-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-(4-ethyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(4-ethylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-(4-ethylpyridin-1-ium-1-yl)ethanone Formula: C20H23N2OS+ MolecularWeight: 339.47442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC(=O)C2=C(N(C(=C2)C)CC3=CC=CS3)C

InChI

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