5-(1,3-benzodioxol-5-ylmethyl)-1,3-diphenyl-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-1,3-diphenyl-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-1,3-diphenyl-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-1,3-diphenyl-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-1,3-diphenyl-1,3,5-triazinan-5-ium-2-thione Traditional Name: 1,3-diphenyl-5-piperonyl-1,3,5-triazinan-5-ium-2-thione Formula: C23H22N3O2S+ MolecularWeight: 404.50468

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Descriptors Computed from Structure

Canonical SMILES:

C1[NH+](CN(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1[NH+](CN(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21N3O2S/c29-23-25(19-7-3-1-4-8-19)15-24(16-26(23)20-9-5-2-6-10-20)14-18-11-12-21-22(13-18)28-17-27-21/h1-13H,14-17H2/p+1