ethyl 4-[(phenylmethyl)iminomethylamino]-1,2,4-triazol-4-ium-1-carboxylate chloride

Systemtic Name: ethyl 4-[(phenylmethyl)iminomethylamino]-1,2,4-triazol-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-(benzyliminomethylamino)-1,2,4-triazol-4-ium-1-carboxylate chloride CAS Name: 4-[(phenylmethyl)iminomethylamino]-1,2,4-triazol-4-ium-1-carboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-(benzyliminomethylamino)-1,2,4-triazol-4-ium-1-carboxylate chloride Traditional Name: 4-(benzyliminomethylamino)-1,2,4-triazol-4-ium-1-carboxylic acid ethyl ester chloride Formula: C13H16ClN5O2 MolecularWeight: 309.75144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=[N+](C=N1)NC=NCC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCOC(=O)N1C=[N+](C=N1)NC=NCC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C13H16N5O2.ClH/c1-2-20-13(19)18-11-17(10-16-18)15-9-14-8-12-6-4-3-5-7-12;/h3-7,9-11H,2,8H2,1H3,(H,14,15);1H/q+1;/p-1