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

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]ethanone CAS Name: 2-(4-benzoyl-1-pyridin-1-iumyl)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]ethanone Traditional Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]ethanone Formula: C25H23N2O2S+ MolecularWeight: 415.52732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)C[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)C[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23N2O2S/c1-18-15-23(19(2)27(18)16-22-9-6-14-30-22)24(28)17-26-12-10-21(11-13-26)25(29)20-7-4-3-5-8-20/h3-15H,16-17H2,1-2H3/q+1