1-(4-bromophenyl)-8-chloranyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one

Systemtic Name: 1-(4-bromophenyl)-8-chloranyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Openeye Name: 1-(4-bromophenyl)-8-chloro-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one CAS Name: 1-(4-bromophenyl)-8-chloro-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one IUPAC Name: 1-(4-bromophenyl)-8-chloro-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Traditional Name: 1-(4-bromophenyl)-8-chloro-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Formula: C22H17BrClN2O+ MolecularWeight: 440.74018

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C2C=C(C=CC2=[N+](C1=O)C3=CC=C(C=C3)Br)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CNC(=C2C=C(C=CC2=[N+](C1=O)C3=CC=C(C=C3)Br)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H16BrClN2O/c23-16-6-9-18(10-7-16)26-20-11-8-17(24)14-19(20)22(25-13-12-21(26)27)15-4-2-1-3-5-15/h1-11,14H,12-13H2/p+1