dimethyl-[3-[(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)azaniumyl]propyl]azanium dichloride

Systemtic Name: dimethyl-[3-[(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)azaniumyl]propyl]azanium dichloride Openeye Name: dimethyl-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)ammonio]propyl]ammonium dichloride CAS Name: dimethyl-[3-[(7-oxo-1-cyclohepta-1,3,5-trienyl)ammonio]propyl]ammonium dichloride IUPAC Name: dimethyl-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]propyl]azanium dichloride Traditional Name: 3-[(7-ketocyclohepta-1,3,5-trien-1-yl)ammonio]propyl-dimethyl-ammonium dichloride Formula: C12H20Cl2N2O MolecularWeight: 279.206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]C1=CC=CC=CC1=O.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CCC[NH2+]C1=CC=CC=CC1=O.[Cl-].[Cl-]

InChI

InChI=1S/C12H18N2O.2ClH/c1-14(2)10-6-9-13-11-7-4-3-5-8-12(11)15;;/h3-5,7-8H,6,9-10H2,1-2H3,(H,13,15);2*1H