2-chloranyl-4-[5-(1-oxidanidylpyridin-1-ium-4-yl)-1-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 2-chloranyl-4-[5-(1-oxidanidylpyridin-1-ium-4-yl)-1-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[1-(benzyloxymethyl)-5-(1-oxidopyridin-1-ium-4-yl)-1,2,4-triazol-3-yl]-2-chloro-pyridine CAS Name: 2-chloro-4-[5-(1-oxido-4-pyridin-1-iumyl)-1-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 2-chloro-4-[5-(1-oxidopyridin-1-ium-4-yl)-1-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[1-(benzoxymethyl)-5-(1-oxidopyridin-1-ium-4-yl)-1,2,4-triazol-3-yl]-2-chloro-pyridine Formula: C20H16ClN5O2 MolecularWeight: 393.82634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCN2C(=NC(=N2)C3=CC(=NC=C3)Cl)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCN2C(=NC(=N2)C3=CC(=NC=C3)Cl)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C20H16ClN5O2/c21-18-12-17(6-9-22-18)19-23-20(16-7-10-25(27)11-8-16)26(24-19)14-28-13-15-4-2-1-3-5-15/h1-12H,13-14H2