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

Systemtic Name: 4-(6-azanylidenecyclohexa-1,3-dien-1-yl)-3-butyl-1,2,3-oxadiazol-3-ium-5-olate hydrochloride Openeye Name: 3-butyl-4-(6-iminocyclohexa-1,3-dien-1-yl)oxadiazol-3-ium-5-olate hydrochloride CAS Name: 3-butyl-4-(6-imino-1-cyclohexa-1,3-dienyl)-5-oxadiazol-3-iumolate hydrochloride IUPAC Name: 3-butyl-4-(6-iminocyclohexa-1,3-dien-1-yl)oxadiazol-3-ium-5-olate hydrochloride Traditional Name: 3-butyl-4-(6-iminocyclohexa-1,3-dien-1-yl)oxadiazol-3-ium-5-olate hydrochloride Formula: C12H16ClN3O2 MolecularWeight: 269.72734

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=NOC(=C1C2=CC=CCC2=N)[O-].Cl

Isomeric SMILES

CCCC[N+]1=NOC(=C1C2=CC=CCC2=N)[O-].Cl

InChI

InChI=1S/C12H15N3O2.ClH/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;1H