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

Systemtic Name: 2-[3-[5-(phenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[3-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone CAS Name: 2-[3-[5-(phenylmethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[3-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[3-(5-benzyl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone Formula: C21H18N3OS+ MolecularWeight: 360.45212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=NN2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=NN2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CS4

InChI

InChI=1S/C21H18N3OS/c25-20(21-9-5-11-26-21)15-24-10-4-8-17(14-24)19-13-18(22-23-19)12-16-6-2-1-3-7-16/h1-11,13-14H,12,15H2,(H,22,23)/q+1