1-(5-chloranylthiophen-2-yl)-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone Openeye Name: 1-(5-chloro-2-thienyl)-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone CAS Name: 1-(5-chloro-2-thiophenyl)-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]ethanone IUPAC Name: 1-(5-chlorothiophen-2-yl)-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone Traditional Name: 1-(5-chloro-2-thienyl)-2-[3-[5-(phenoxymethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone Formula: C21H17ClN3O2S+ MolecularWeight: 410.89658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC(=NN2)C3=C[N+](=CC=C3)CC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC(=NN2)C3=C[N+](=CC=C3)CC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H17ClN3O2S/c22-21-9-8-20(28-21)19(26)13-25-10-4-5-15(12-25)18-11-16(23-24-18)14-27-17-6-2-1-3-7-17/h1-12H,13-14H2,(H,23,24)/q+1