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

Systemtic Name: 4-(6-azanylidenecyclohexa-1,3-dien-1-yl)-3-propan-2-yl-1,2,3-oxadiazol-3-ium-5-olate hydrochloride Openeye Name: 4-(6-iminocyclohexa-1,3-dien-1-yl)-3-isopropyl-oxadiazol-3-ium-5-olate hydrochloride CAS Name: 4-(6-imino-1-cyclohexa-1,3-dienyl)-3-propan-2-yl-5-oxadiazol-3-iumolate hydrochloride IUPAC Name: 4-(6-iminocyclohexa-1,3-dien-1-yl)-3-propan-2-yloxadiazol-3-ium-5-olate hydrochloride Traditional Name: 4-(6-iminocyclohexa-1,3-dien-1-yl)-3-isopropyl-oxadiazol-3-ium-5-olate hydrochloride Formula: C11H14ClN3O2 MolecularWeight: 255.70076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O2.ClH/c1-7(2)14-10(11(15)16-13-14)8-5-3-4-6-9(8)12;/h3-5,7,12H,6H2,1-2H3;1H