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

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(3-phenylpyridin-1-ium-1-yl)ethanone chloride Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-(3-phenylpyridin-1-ium-1-yl)ethanone chloride CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-(3-phenyl-1-pyridin-1-iumyl)ethanone chloride IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-(3-phenylpyridin-1-ium-1-yl)ethanone chloride Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-(3-phenylpyridin-1-ium-1-yl)ethanone chloride Formula: C24H23ClN2OS MolecularWeight: 422.97022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N2OS.ClH/c1-18-14-23(19(2)26(18)16-22-11-7-13-28-22)24(27)17-25-12-6-10-21(15-25)20-8-4-3-5-9-20;/h3-15H,16-17H2,1-2H3;1H/q+1;/p-1