2-[3,5-bis(chloranyl)-1-oxidanidyl-pyridin-1-ium-4-yl]-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethanone

Systemtic Name: 2-[3,5-bis(chloranyl)-1-oxidanidyl-pyridin-1-ium-4-yl]-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethanone Openeye Name: 1-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)ethanone CAS Name: 1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3,5-dichloro-1-oxido-4-pyridin-1-iumyl)ethanone IUPAC Name: 1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethanone Traditional Name: 1-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)ethanone Formula: C19H19Cl2NO4 MolecularWeight: 396.26446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CC2=C(C=[N+](C=C2Cl)[O-])Cl)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CC2=C(C=[N+](C=C2Cl)[O-])Cl)OC3CCCC3

InChI

InChI=1S/C19H19Cl2NO4/c1-25-18-7-6-12(8-19(18)26-13-4-2-3-5-13)17(23)9-14-15(20)10-22(24)11-16(14)21/h6-8,10-11,13H,2-5,9H2,1H3