2-morpholin-4-ium-4-ylethyl-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)azanium dichloride

Systemtic Name: 2-morpholin-4-ium-4-ylethyl-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)azanium dichloride Openeye Name: 2-morpholin-4-ium-4-ylethyl-(7-oxocyclohepta-1,3,5-trien-1-yl)ammonium dichloride CAS Name: 2-(4-morpholin-4-iumyl)ethyl-(7-oxo-1-cyclohepta-1,3,5-trienyl)ammonium dichloride IUPAC Name: 2-morpholin-4-ium-4-ylethyl-(7-oxocyclohepta-1,3,5-trien-1-yl)azanium dichloride Traditional Name: (7-ketocyclohepta-1,3,5-trien-1-yl)-(2-morpholin-4-ium-4-ylethyl)ammonium dichloride Formula: C13H20Cl2N2O2 MolecularWeight: 307.2161

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC[NH2+]C2=CC=CC=CC2=O.[Cl-].[Cl-]

Isomeric SMILES

C1COCC[NH+]1CC[NH2+]C2=CC=CC=CC2=O.[Cl-].[Cl-]

InChI

InChI=1S/C13H18N2O2.2ClH/c16-13-5-3-1-2-4-12(13)14-6-7-15-8-10-17-11-9-15;;/h1-5H,6-11H2,(H,14,16);2*1H