6-octoxy-1-phenyl-pyridazin-1-ium-4-amine perchlorate

Systemtic Name: 6-octoxy-1-phenyl-pyridazin-1-ium-4-amine perchlorate Openeye Name: 6-octoxy-1-phenyl-pyridazin-1-ium-4-amine perchlorate CAS Name: 6-octoxy-1-phenyl-4-pyridazin-1-iumamine perchlorate IUPAC Name: 6-octoxy-1-phenylpyridazin-1-ium-4-amine perchlorate Traditional Name: (6-octoxy-1-phenyl-pyridazin-1-ium-4-yl)amine perchlorate Formula: C18H26ClN3O5 MolecularWeight: 399.86914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=[N+](N=CC(=C1)N)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCOC1=[N+](N=CC(=C1)N)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H25N3O.ClHO4/c1-2-3-4-5-6-10-13-22-18-14-16(19)15-20-21(18)17-11-8-7-9-12-17;2-1(3,4)5/h7-9,11-12,14-15,19H,2-6,10,13H2,1H3;(H,2,3,4,5)