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

Systemtic Name: 3-(morpholin-4-ium-4-ylmethyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-(morpholin-4-ium-4-ylmethyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-(4-morpholin-4-iumylmethyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-(morpholin-4-ium-4-ylmethyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-(morpholin-4-ium-4-ylmethyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole-2-thione Formula: C13H15N4O4S+ MolecularWeight: 323.3476

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=S)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CN2C(=S)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4S/c18-17(19)11-3-1-2-10(8-11)12-14-16(13(22)21-12)9-15-4-6-20-7-5-15/h1-3,8H,4-7,9H2/p+1