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

Systemtic Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-5-(3-pyridyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-5-(3-pyridinyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-5-(3-pyridyl)-1,3,4-oxadiazole-2-thione Formula: C17H19N6OS+ MolecularWeight: 355.43736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)OC(=N2)C3=CN=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CN2C(=S)OC(=N2)C3=CN=CC=C3)C4=CC=CC=[NH+]4

InChI

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