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

Systemtic Name: 5-[2-(1,3-benzodioxol-5-yl)ethyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-[2-(1,3-benzodioxol-5-yl)ethyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-[2-(1,3-benzodioxol-5-yl)ethyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-[2-(1,3-benzodioxol-5-yl)ethyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: (5-homopiperonyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl)-phenyl-amine Formula: C23H20N3O2S+ MolecularWeight: 402.4888

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC3=[N+](N=C(S3)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC3=[N+](N=C(S3)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H20N3O2S/c1-3-7-18(8-4-1)24-23-25-26(19-9-5-2-6-10-19)22(29-23)14-12-17-11-13-20-21(15-17)28-16-27-20/h1-11,13,15H,12,14,16H2,(H,24,25)/q+1