2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3,4-thiadiazole perchlorate

Systemtic Name: 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3,4-thiadiazole perchlorate Openeye Name: 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3,4-thiadiazole perchlorate CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)-5-phenyl-1,3,4-thiadiazole perchlorate IUPAC Name: 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3,4-thiadiazole perchlorate Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)-5-phenyl-1,3,4-thiadiazole perchlorate Formula: C14H12ClN3O4S MolecularWeight: 353.78078

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NN=C(S2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NN=C(S2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H12N3S.ClHO4/c1-17-9-7-12(8-10-17)14-16-15-13(18-14)11-5-3-2-4-6-11;2-1(3,4)5/h2-10H,1H3;(H,2,3,4,5)/q+1;/p-1