2,3-di(butanoyl)-1-oxidanylidene-5-phenyl-1,2,3-triazolidin-1-ium-4-one

Systemtic Name: 2,3-di(butanoyl)-1-oxidanylidene-5-phenyl-1,2,3-triazolidin-1-ium-4-one Openeye Name: 2,3-di(butanoyl)-1-oxo-5-phenyl-triazolidin-1-ium-4-one CAS Name: 1-oxo-2,3-bis(1-oxobutyl)-5-phenyl-4-triazolidin-1-iumone IUPAC Name: 2,3-di(butanoyl)-1-oxo-5-phenyltriazolidin-1-ium-4-one Traditional Name: 2,3-dibutyryl-1-keto-5-phenyl-triazolidin-1-ium-4-one Formula: C16H20N3O4+ MolecularWeight: 318.3477

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=O)C([N+](=O)N1C(=O)CCC)C2=CC=CC=C2

Isomeric SMILES

CCCC(=O)N1C(=O)C([N+](=O)N1C(=O)CCC)C2=CC=CC=C2

InChI

InChI=1S/C16H20N3O4/c1-3-8-13(20)17-16(22)15(12-10-6-5-7-11-12)19(23)18(17)14(21)9-4-2/h5-7,10-11,15H,3-4,8-9H2,1-2H3/q+1