1-methyl-4-pyrrol-1-yl-1,2,4-triazol-1-ium perchlorate

Systemtic Name: 1-methyl-4-pyrrol-1-yl-1,2,4-triazol-1-ium perchlorate Openeye Name: 1-methyl-4-pyrrol-1-yl-1,2,4-triazol-1-ium perchlorate CAS Name: 1-methyl-4-(1-pyrrolyl)-1,2,4-triazol-1-ium perchlorate IUPAC Name: 1-methyl-4-pyrrol-1-yl-1,2,4-triazol-1-ium perchlorate Traditional Name: 1-methyl-4-pyrrol-1-yl-1,2,4-triazol-1-ium perchlorate Formula: C7H9ClN4O4 MolecularWeight: 248.62376

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=N1)N2C=CC=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=CN(C=N1)N2C=CC=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C7H9N4.ClHO4/c1-9-7-11(6-8-9)10-4-2-3-5-10;2-1(3,4)5/h2-7H,1H3;(H,2,3,4,5)/q+1;/p-1