(E)-1-azanylethylidene-[3-(1H-pyrazol-1-ium-1-ylmethyl)phenyl]azanium dibromide

Systemtic Name: (E)-1-azanylethylidene-[3-(1H-pyrazol-1-ium-1-ylmethyl)phenyl]azanium dibromide Openeye Name: (E)-1-aminoethylidene-[3-(1H-pyrazol-1-ium-1-ylmethyl)phenyl]ammonium dibromide CAS Name: (E)-1-aminoethylidene-[3-(1H-pyrazol-1-ium-1-ylmethyl)phenyl]ammonium dibromide IUPAC Name: (E)-1-aminoethylidene-[3-(1H-pyrazol-1-ium-1-ylmethyl)phenyl]azanium dibromide Traditional Name: (E)-1-aminoethylidene-[3-(1H-pyrazol-1-ium-1-ylmethyl)phenyl]ammonium dibromide Formula: C12H16Br2N4 MolecularWeight: 376.09024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH+]C1=CC=CC(=C1)C[NH+]2C=CC=N2)N.[Br-].[Br-]

Isomeric SMILES

C/C(=[NH+]\C1=CC=CC(=C1)C[NH+]2C=CC=N2)/N.[Br-].[Br-]

InChI

InChI=1S/C12H14N4.2BrH/c1-10(13)15-12-5-2-4-11(8-12)9-16-7-3-6-14-16;;/h2-8H,9H2,1H3,(H2,13,15);2*1H