1-(5-methylthiophen-2-yl)-2-[3-(5-phenethyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]ethanone chloride

Systemtic Name: 1-(5-methylthiophen-2-yl)-2-[3-(5-phenethyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]ethanone chloride Openeye Name: 1-(5-methyl-2-thienyl)-2-[3-(5-phenethyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]ethanone chloride CAS Name: 1-(5-methyl-2-thiophenyl)-2-[3-(5-phenethyl-1H-pyrazol-3-yl)-1-pyridin-1-iumyl]ethanone chloride IUPAC Name: 1-(5-methylthiophen-2-yl)-2-[3-(5-phenethyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]ethanone chloride Traditional Name: 1-(5-methyl-2-thienyl)-2-[3-(5-phenethyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]ethanone chloride Formula: C23H22ClN3OS MolecularWeight: 423.95828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)CCC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC=C(S1)C(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)CCC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C23H22N3OS.ClH/c1-17-9-12-23(28-17)22(27)16-26-13-5-8-19(15-26)21-14-20(24-25-21)11-10-18-6-3-2-4-7-18;/h2-9,12-15H,10-11,16H2,1H3,(H,24,25);1H/q+1;/p-1