[4-[(E)-[(4-azanyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]phenyl]-bis(2-chloroethyl)azanium chloride

Systemtic Name: [4-[(E)-[(4-azanyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]phenyl]-bis(2-chloroethyl)azanium chloride Openeye Name: [4-[(E)-[(4-amino-1,2,4-triazol-3-yl)hydrazono]methyl]phenyl]-bis(2-chloroethyl)ammonium chloride CAS Name: [4-[(E)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]phenyl]-bis(2-chloroethyl)ammonium chloride IUPAC Name: [4-[(E)-[(4-amino-1,2,4-triazol-3-yl)hydrazinylidene]methyl]phenyl]-bis(2-chloroethyl)azanium chloride Traditional Name: [4-[(E)-[(4-amino-1,2,4-triazol-3-yl)hydrazono]methyl]phenyl]-bis(2-chloroethyl)ammonium chloride Formula: C13H18Cl3N7 MolecularWeight: 378.68792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC2=NN=CN2N)[NH+](CCCl)CCCl.[Cl-]

Isomeric SMILES

C1=CC(=CC=C1/C=N/NC2=NN=CN2N)[NH+](CCCl)CCCl.[Cl-]

InChI

InChI=1S/C13H17Cl2N7.ClH/c14-5-7-21(8-6-15)12-3-1-11(2-4-12)9-17-19-13-20-18-10-22(13)16;/h1-4,9-10H,5-8,16H2,(H,19,20);1H/b17-9+;