(1E)-N'-propyl-1-pyrazol-1-ium-1-ylidene-methanediamine chloride

Systemtic Name: (1E)-N'-propyl-1-pyrazol-1-ium-1-ylidene-methanediamine chloride Openeye Name: (1E)-N'-propyl-1-pyrazol-1-ium-1-ylidene-methanediamine chloride CAS Name: (1E)-N'-propyl-1-(1-pyrazol-1-iumylidene)methanediamine chloride IUPAC Name: (1E)-N'-propyl-1-pyrazol-1-ium-1-ylidenemethanediamine chloride Traditional Name: [(E)-amino(pyrazol-1-ium-1-ylidene)methyl]-propyl-amine chloride Formula: C7H13ClN4 MolecularWeight: 188.65792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=[N+]1C=CC=N1)N.[Cl-]

Isomeric SMILES

CCCN/C(=[N+]/1\C=CC=N1)/N.[Cl-]

InChI

InChI=1S/C7H12N4.ClH/c1-2-4-9-7(8)11-6-3-5-10-11;/h3,5-6H,2,4H2,1H3,(H2,8,9);1H