5-(1,3-benzodioxol-5-yl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(1,3-benzodioxol-5-yl)-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione Formula: C19H21N5O3S+2 MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C19H19N5O3S/c28-19-24(12-22-7-9-23(10-8-22)17-3-1-2-6-20-17)21-18(27-19)14-4-5-15-16(11-14)26-13-25-15/h1-6,11H,7-10,12-13H2/p+2