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

Systemtic Name: 1-(5-methylthiophen-2-yl)-2-[3-[5-(phenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone Openeye Name: 2-[3-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-(5-methyl-2-thienyl)ethanone CAS Name: 1-(5-methyl-2-thiophenyl)-2-[3-[5-(phenylmethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]ethanone IUPAC Name: 2-[3-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-(5-methylthiophen-2-yl)ethanone Traditional Name: 2-[3-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-(5-methyl-2-thienyl)ethanone Formula: C22H20N3OS+ MolecularWeight: 374.4787

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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)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)C(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N3OS/c1-16-9-10-22(27-16)21(26)15-25-11-5-8-18(14-25)20-13-19(23-24-20)12-17-6-3-2-4-7-17/h2-11,13-14H,12,15H2,1H3,(H,23,24)/q+1