5-(1,3-benzodioxol-5-yl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Openeye Name: 5-(1,3-benzodioxol-5-yl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride CAS Name: 5-(1,3-benzodioxol-5-yl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine chloride Traditional Name: [5-(1,3-benzodioxol-5-yl)-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine chloride Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=[N+](N=C(S3)NC4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=[N+](N=C(S3)NC4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C21H16N3O2S.ClH/c1-3-7-16(8-4-1)22-21-23-24(17-9-5-2-6-10-17)20(27-21)15-11-12-18-19(13-15)26-14-25-18;/h1-13H,14H2,(H,22,23);1H/q+1;/p-1