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

Systemtic Name: 1-[(3-bromophenyl)methyl]-8-chloranyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Openeye Name: 1-[(3-bromophenyl)methyl]-8-chloro-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one CAS Name: 1-[(3-bromophenyl)methyl]-8-chloro-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one IUPAC Name: 1-[(3-bromophenyl)methyl]-8-chloro-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Traditional Name: 1-(3-bromobenzyl)-8-chloro-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Formula: C23H19BrClN2O+ MolecularWeight: 454.76676

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=C2C=C(C=CC2=[N+](C1=O)CC3=CC(=CC=C3)Br)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CNC(=C2C=C(C=CC2=[N+](C1=O)CC3=CC(=CC=C3)Br)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H18BrClN2O/c24-18-8-4-5-16(13-18)15-27-21-10-9-19(25)14-20(21)23(26-12-11-22(27)28)17-6-2-1-3-7-17/h1-10,13-14H,11-12,15H2/p+1