1-(phenylmethyl)-1,2,4-triazol-4-ium-4-amine chloride

Systemtic Name: 1-(phenylmethyl)-1,2,4-triazol-4-ium-4-amine chloride Openeye Name: 1-benzyl-1,2,4-triazol-4-ium-4-amine chloride CAS Name: 1-(phenylmethyl)-1,2,4-triazol-4-ium-4-amine chloride IUPAC Name: 1-benzyl-1,2,4-triazol-4-ium-4-amine chloride Traditional Name: (1-benzyl-1,2,4-triazol-4-ium-4-yl)amine chloride Formula: C9H11ClN4 MolecularWeight: 210.66344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=[N+](C=N2)N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=[N+](C=N2)N.[Cl-]

InChI

InChI=1S/C9H11N4.ClH/c10-12-7-11-13(8-12)6-9-4-2-1-3-5-9;/h1-5,7-8H,6,10H2;1H/q+1;/p-1