5-(3-nitrophenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(3-nitrophenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-(3-nitrophenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(3-nitrophenyl)-3-(1-piperidin-1-iumylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(3-nitrophenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-(3-nitrophenyl)-3-(piperidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C14H17N4O3S+ MolecularWeight: 321.37478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3S/c19-18(20)12-6-4-5-11(9-12)13-15-17(14(22)21-13)10-16-7-2-1-3-8-16/h4-6,9H,1-3,7-8,10H2/p+1