5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2H-1,2,4-triazine-3-thione

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2H-1,2,4-triazine-3-thione Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2H-1,2,4-triazine-3-thione CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2H-1,2,4-triazine-3-thione IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2H-1,2,4-triazine-3-thione Traditional Name: 5-(4-piperonylpiperazin-4-ium-1-yl)-2H-1,2,4-triazine-3-thione Formula: C15H18N5O2S+ MolecularWeight: 332.40072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC(=S)NN=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC(=S)NN=C4

InChI

InChI=1S/C15H17N5O2S/c23-15-17-14(8-16-18-15)20-5-3-19(4-6-20)9-11-1-2-12-13(7-11)22-10-21-12/h1-2,7-8H,3-6,9-10H2,(H,17,18,23)/p+1