6-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine-2,5-diium dichloride

Systemtic Name: 6-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine-2,5-diium dichloride Openeye Name: 6-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine-2,5-diium dichloride CAS Name: 6-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine-2,5-diium dichloride IUPAC Name: 6-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine-2,5-diium dichloride Traditional Name: 6-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine-2,5-diium dichloride Formula: C16H19Cl3N2 MolecularWeight: 345.69446

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(C2=CC=CC=C2C[NH2+]1)C3=CC=C(C=C3)Cl.[Cl-].[Cl-]

Isomeric SMILES

C1C[NH2+]C(C2=CC=CC=C2C[NH2+]1)C3=CC=C(C=C3)Cl.[Cl-].[Cl-]

InChI

InChI=1S/C16H17ClN2.2ClH/c17-14-7-5-12(6-8-14)16-15-4-2-1-3-13(15)11-18-9-10-19-16;;/h1-8,16,18-19H,9-11H2;2*1H