7-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-amine perchlorate

Systemtic Name: 7-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-amine perchlorate Openeye Name: 7-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-amine perchlorate CAS Name: 7-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-amine perchlorate IUPAC Name: 7-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-amine perchlorate Traditional Name: (7-methyl-5-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-2-yl)amine perchlorate Formula: C12H11ClN4O4S MolecularWeight: 342.75814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=[N+](C(=C1)C3=CC=CC=C3)N=C(S2)N.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=NC2=[N+](C(=C1)C3=CC=CC=C3)N=C(S2)N.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H11N4S.ClHO4/c1-8-7-10(9-5-3-2-4-6-9)16-12(14-8)17-11(13)15-16;2-1(3,4)5/h2-7H,1H3,(H2,13,15);(H,2,3,4,5)/q+1;/p-1