1-[3,5-bis(chloranyl)pyridin-2-yl]-N-[[4-(1-oxidanidylpyridin-1-ium-4-yl)oxyphenyl]methyl]pyrrole-2-carboxamide

Systemtic Name: 1-[3,5-bis(chloranyl)pyridin-2-yl]-N-[[4-(1-oxidanidylpyridin-1-ium-4-yl)oxyphenyl]methyl]pyrrole-2-carboxamide Openeye Name: 1-(3,5-dichloro-2-pyridyl)-N-[[4-(1-oxidopyridin-1-ium-4-yl)oxyphenyl]methyl]pyrrole-2-carboxamide CAS Name: 1-(3,5-dichloro-2-pyridinyl)-N-[[4-[(1-oxido-4-pyridin-1-iumyl)oxy]phenyl]methyl]-2-pyrrolecarboxamide IUPAC Name: 1-(3,5-dichloropyridin-2-yl)-N-[[4-(1-oxidopyridin-1-ium-4-yl)oxyphenyl]methyl]pyrrole-2-carboxamide Traditional Name: 1-(3,5-dichloro-2-pyridyl)-N-[4-(1-oxidopyridin-1-ium-4-yl)oxybenzyl]pyrrole-2-carboxamide Formula: C22H16Cl2N4O3 MolecularWeight: 455.29344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C(=O)NCC2=CC=C(C=C2)OC3=CC=[N+](C=C3)[O-])C4=C(C=C(C=N4)Cl)Cl

Isomeric SMILES

C1=CN(C(=C1)C(=O)NCC2=CC=C(C=C2)OC3=CC=[N+](C=C3)[O-])C4=C(C=C(C=N4)Cl)Cl

InChI

InChI=1S/C22H16Cl2N4O3/c23-16-12-19(24)21(25-14-16)28-9-1-2-20(28)22(29)26-13-15-3-5-17(6-4-15)31-18-7-10-27(30)11-8-18/h1-12,14H,13H2,(H,26,29)