3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-(4-pyridyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-(4-pyridyl)-1,3,4-oxadiazole-2-thione Formula: C19H23N5OS+2 MolecularWeight: 369.48382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CN3C(=S)OC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CN3C(=S)OC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C19H21N5OS/c26-19-24(21-18(25-19)17-6-8-20-9-7-17)15-23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9H,10-15H2/p+2