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

Systemtic Name: 3-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-(3-pyridyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-(3-pyridinyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]methyl]-5-(3-pyridyl)-1,3,4-oxadiazole-2-thione Formula: C22H29N5OS+2 MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C(=S)OC(=N3)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CN3C(=S)OC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C22H27N5OS/c1-17(2)19-7-5-18(6-8-19)15-25-10-12-26(13-11-25)16-27-22(29)28-21(24-27)20-4-3-9-23-14-20/h3-9,14,17H,10-13,15-16H2,1-2H3/p+2