5-(4-methoxyphenyl)-4-methyl-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride

Systemtic Name: 5-(4-methoxyphenyl)-4-methyl-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(4-methoxyphenyl)-4-methyl-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-(4-methoxyphenyl)-4-methyl-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-(4-methoxyphenyl)-4-methyl-N-phenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [5-(4-methoxyphenyl)-4-methyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine chloride Formula: C16H16ClN3OS MolecularWeight: 333.83574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC(=N1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC.[Cl-]

Isomeric SMILES

C[N+]1=C(SC(=N1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC.[Cl-]

InChI

InChI=1S/C16H16N3OS.ClH/c1-19-15(12-8-10-14(20-2)11-9-12)21-16(18-19)17-13-6-4-3-5-7-13;/h3-11H,1-2H3,(H,17,18);1H/q+1;/p-1