3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-5-(1-piperidin-1-iumylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C19H28N6O3S+2 MolecularWeight: 420.52902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=NN(C(=S)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H26N6O3S/c26-25(27)17-6-4-16(5-7-17)23-12-10-22(11-13-23)15-24-19(29)28-18(20-24)14-21-8-2-1-3-9-21/h4-7H,1-3,8-15H2/p+2