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

Systemtic Name: 4-[2-(2-methoxyethoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 4-[2-(2-methoxyethoxymethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]-1-oxido-pyridin-1-ium CAS Name: 4-[2-(2-methoxyethoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]-1-oxidopyridin-1-ium IUPAC Name: 4-[2-(2-methoxyethoxymethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]-1-oxidopyridin-1-ium Traditional Name: 4-[2-(2-methoxyethoxymethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]-1-oxido-pyridin-1-ium Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCN1C(=NC(=N1)C2=CC=NC=C2)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

COCCOCN1C(=NC(=N1)C2=CC=NC=C2)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C16H17N5O3/c1-23-10-11-24-12-21-16(14-4-8-20(22)9-5-14)18-15(19-21)13-2-6-17-7-3-13/h2-9H,10-12H2,1H3