4-(6-azanylidenecyclohexa-1,3-dien-1-yl)-3-butyl-2H-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 4-(6-azanylidenecyclohexa-1,3-dien-1-yl)-3-butyl-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 3-butyl-4-(6-iminocyclohexa-1,3-dien-1-yl)-2H-oxadiazol-3-ium-5-one CAS Name: 3-butyl-4-(6-imino-1-cyclohexa-1,3-dienyl)-2H-oxadiazol-3-ium-5-one IUPAC Name: 3-butyl-4-(6-iminocyclohexa-1,3-dien-1-yl)-2H-oxadiazol-3-ium-5-one Traditional Name: 3-butyl-4-(6-iminocyclohexa-1,3-dien-1-yl)-2H-oxadiazol-3-ium-5-one Formula: C12H16N3O2+ MolecularWeight: 234.27434

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C(=O)ON1)C2=CC=CCC2=N

Isomeric SMILES

CCCC[N+]1=C(C(=O)ON1)C2=CC=CCC2=N

InChI

InChI=1S/C12H15N3O2/c1-2-3-8-15-11(12(16)17-14-15)9-6-4-5-7-10(9)13/h4-6,13H,2-3,7-8H2,1H3/p+1