diethyl 2,5-dimethyl-1-(1-methyl-1,2,4-triazol-1-ium-4-yl)pyrrole-3,4-dicarboxylate perchlorate

Systemtic Name: diethyl 2,5-dimethyl-1-(1-methyl-1,2,4-triazol-1-ium-4-yl)pyrrole-3,4-dicarboxylate perchlorate Openeye Name: diethyl 2,5-dimethyl-1-(1-methyl-1,2,4-triazol-1-ium-4-yl)pyrrole-3,4-dicarboxylate perchlorate CAS Name: 2,5-dimethyl-1-(1-methyl-1,2,4-triazol-1-ium-4-yl)pyrrole-3,4-dicarboxylic acid diethyl ester perchlorate IUPAC Name: diethyl 2,5-dimethyl-1-(1-methyl-1,2,4-triazol-1-ium-4-yl)pyrrole-3,4-dicarboxylate perchlorate Traditional Name: 2,5-dimethyl-1-(1-methyl-1,2,4-triazol-1-ium-4-yl)pyrrole-3,4-dicarboxylic acid diethyl ester perchlorate Formula: C15H21ClN4O8 MolecularWeight: 420.80224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)N2C=N[N+](=C2)C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C(=O)OCC)C)N2C=N[N+](=C2)C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C15H21N4O4.ClHO4/c1-6-22-14(20)12-10(3)19(18-8-16-17(5)9-18)11(4)13(12)15(21)23-7-2;2-1(3,4)5/h8-9H,6-7H2,1-5H3;(H,2,3,4,5)/q+1;/p-1