5-azanyl-2-methyl-3-(phenylmethyl)-1H-pyridazin-2-ium-6-thione perchlorate

Systemtic Name: 5-azanyl-2-methyl-3-(phenylmethyl)-1H-pyridazin-2-ium-6-thione perchlorate Openeye Name: 5-amino-3-benzyl-2-methyl-1H-pyridazin-2-ium-6-thione perchlorate CAS Name: 5-amino-2-methyl-3-(phenylmethyl)-1H-pyridazin-2-ium-6-thione perchlorate IUPAC Name: 5-amino-3-benzyl-2-methyl-1H-pyridazin-2-ium-6-thione perchlorate Traditional Name: 5-amino-3-benzyl-2-methyl-1H-pyridazin-2-ium-6-thione perchlorate Formula: C12H14ClN3O4S MolecularWeight: 331.77526

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C(=S)N1)N)CC2=CC=CC=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=C(C=C(C(=S)N1)N)CC2=CC=CC=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H13N3S.ClHO4/c1-15-10(8-11(13)12(16)14-15)7-9-5-3-2-4-6-9;2-1(3,4)5/h2-6,8,13H,7H2,1H3,(H,14,16);(H,2,3,4,5)