N2-butyl-2-phenyl-3H-pyridazin-2-ium-2,5-diamine perchlorate

Systemtic Name: N2-butyl-2-phenyl-3H-pyridazin-2-ium-2,5-diamine perchlorate Openeye Name: N2-butyl-2-phenyl-3H-pyridazin-2-ium-2,5-diamine perchlorate CAS Name: N2-butyl-2-phenyl-3H-pyridazin-2-ium-2,5-diamine perchlorate IUPAC Name: 2-N-butyl-2-phenyl-3H-pyridazin-2-ium-2,5-diamine perchlorate Traditional Name: (5-amino-2-phenyl-3H-pyridazin-2-ium-2-yl)-butyl-amine perchlorate Formula: C14H21ClN4O4 MolecularWeight: 344.79394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN[N+]1(CC=C(C=N1)N)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCN[N+]1(CC=C(C=N1)N)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H21N4.ClHO4/c1-2-3-10-16-18(11-9-13(15)12-17-18)14-7-5-4-6-8-14;2-1(3,4)5/h4-9,12,16H,2-3,10-11,15H2,1H3;(H,2,3,4,5)/q+1;/p-1