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

Systemtic Name: 3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(3-pyridyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-(3-pyridinyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(3-pyridyl)-1,3,4-oxadiazole-2-thione Formula: C17H20N6OS+2 MolecularWeight: 356.4453

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CN=CC=C3)C4=CC=[NH+]C=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CN=CC=C3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C17H18N6OS/c25-17-23(20-16(24-17)14-2-1-5-19-12-14)13-21-8-10-22(11-9-21)15-3-6-18-7-4-15/h1-7,12H,8-11,13H2/p+2