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

Systemtic Name: 1-(5-methylthiophen-2-yl)-2-[3-(5-phenethyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]ethanone Openeye Name: 1-(5-methyl-2-thienyl)-2-[3-(5-phenethyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]ethanone CAS Name: 1-(5-methyl-2-thiophenyl)-2-[3-(5-phenethyl-1H-pyrazol-3-yl)-1-pyridin-1-iumyl]ethanone IUPAC Name: 1-(5-methylthiophen-2-yl)-2-[3-(5-phenethyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]ethanone Traditional Name: 1-(5-methyl-2-thienyl)-2-[3-(5-phenethyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]ethanone Formula: C23H22N3OS+ MolecularWeight: 388.50528

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N3OS/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)/q+1