1-oxidanidyl-4-[2-(phenylmethoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridin-1-ium

Systemtic Name: 1-oxidanidyl-4-[2-(phenylmethoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridin-1-ium Openeye Name: 4-[2-(benzyloxymethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]-1-oxido-pyridin-1-ium CAS Name: 1-oxido-4-[2-(phenylmethoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridin-1-ium IUPAC Name: 1-oxido-4-[2-(phenylmethoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridin-1-ium Traditional Name: 4-[2-(benzoxymethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]-1-oxido-pyridin-1-ium Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O2/c26-24-12-8-18(9-13-24)20-22-19(17-6-10-21-11-7-17)23-25(20)15-27-14-16-4-2-1-3-5-16/h1-13H,14-15H2