2-[3-[5-[(1-methylindol-3-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone chloride

Systemtic Name: 2-[3-[5-[(1-methylindol-3-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone chloride Openeye Name: 2-[3-[5-[(1-methylindol-3-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone chloride CAS Name: 2-[3-[5-[(1-methyl-3-indolyl)methyl]-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]-1-thiophen-2-ylethanone chloride IUPAC Name: 2-[3-[5-[(1-methylindol-3-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-ylethanone chloride Traditional Name: 2-[3-[5-[(1-methylindol-3-yl)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone chloride Formula: C24H21ClN4OS MolecularWeight: 448.96774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC3=CC(=NN3)C4=C[N+](=CC=C4)CC(=O)C5=CC=CS5.[Cl-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC3=CC(=NN3)C4=C[N+](=CC=C4)CC(=O)C5=CC=CS5.[Cl-]

InChI

InChI=1S/C24H21N4OS.ClH/c1-27-14-18(20-7-2-3-8-22(20)27)12-19-13-21(26-25-19)17-6-4-10-28(15-17)16-23(29)24-9-5-11-30-24;/h2-11,13-15H,12,16H2,1H3,(H,25,26);1H/q+1;/p-1