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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-yl)butyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Openeye Name: 5-[4-(1,3-benzodioxol-5-yl)butyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine CAS Name: 5-[4-(1,3-benzodioxol-5-yl)butyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine IUPAC Name: 5-[4-(1,3-benzodioxol-5-yl)butyl]-N,4-diphenyl-1,3,4-thiadiazol-4-ium-2-amine Traditional Name: [5-[4-(1,3-benzodioxol-5-yl)butyl]-4-phenyl-1,3,4-thiadiazol-4-ium-2-yl]-phenyl-amine Formula: C25H24N3O2S+ MolecularWeight: 430.54196

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCCCC3=[N+](N=C(S3)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCCCC3=[N+](N=C(S3)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N3O2S/c1-3-10-20(11-4-1)26-25-27-28(21-12-5-2-6-13-21)24(31-25)14-8-7-9-19-15-16-22-23(17-19)30-18-29-22/h1-6,10-13,15-17H,7-9,14,18H2,(H,26,27)/q+1