2-[4-(2,3-dihydro-1H-1,2,4-triazol-1-ium-1-ylmethyl)phenoxy]pyrazine chloride

Systemtic Name: 2-[4-(2,3-dihydro-1H-1,2,4-triazol-1-ium-1-ylmethyl)phenoxy]pyrazine chloride Openeye Name: 2-[4-(2,3-dihydro-1H-1,2,4-triazol-1-ium-1-ylmethyl)phenoxy]pyrazine chloride CAS Name: 2-[4-(2,3-dihydro-1H-1,2,4-triazol-1-ium-1-ylmethyl)phenoxy]pyrazine chloride IUPAC Name: 2-[4-(2,3-dihydro-1H-1,2,4-triazol-1-ium-1-ylmethyl)phenoxy]pyrazine chloride Traditional Name: 2-[4-(2,3-dihydro-1H-1,2,4-triazol-1-ium-1-ylmethyl)phenoxy]pyrazine chloride Formula: C13H14ClN5O MolecularWeight: 291.73616

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Descriptors Computed from Structure

Canonical SMILES:

C1N[NH+](C=N1)CC2=CC=C(C=C2)OC3=NC=CN=C3.[Cl-]

Isomeric SMILES

C1N[NH+](C=N1)CC2=CC=C(C=C2)OC3=NC=CN=C3.[Cl-]

InChI

InChI=1S/C13H13N5O.ClH/c1-3-12(19-13-7-14-5-6-16-13)4-2-11(1)8-18-10-15-9-17-18;/h1-7,10,17H,8-9H2;1H