1-phenyl-N-propan-2-yl-pyridazin-1-ium-4-amine perchlorate

Systemtic Name: 1-phenyl-N-propan-2-yl-pyridazin-1-ium-4-amine perchlorate Openeye Name: N-isopropyl-1-phenyl-pyridazin-1-ium-4-amine perchlorate CAS Name: 1-phenyl-N-propan-2-yl-4-pyridazin-1-iumamine perchlorate IUPAC Name: 1-phenyl-N-propan-2-ylpyridazin-1-ium-4-amine perchlorate Traditional Name: isopropyl-(1-phenylpyridazin-1-ium-4-yl)amine perchlorate Formula: C13H16ClN3O4 MolecularWeight: 313.73684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CN=[N+](C=C1)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)NC1=CN=[N+](C=C1)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H15N3.ClHO4/c1-11(2)15-12-8-9-16(14-10-12)13-6-4-3-5-7-13;2-1(3,4)5/h3-11H,1-2H3;(H,2,3,4,5)