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

Systemtic Name: 8-bromanyl-6-phenyl-1-(phenylmethyl)-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Openeye Name: 1-benzyl-8-bromo-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one CAS Name: 8-bromo-6-phenyl-1-(phenylmethyl)-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one IUPAC Name: 1-benzyl-8-bromo-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Traditional Name: 1-benzyl-8-bromo-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Formula: C23H20BrN2O+ MolecularWeight: 420.3217

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN2O/c24-19-11-12-21-20(15-19)23(18-9-5-2-6-10-18)25-14-13-22(27)26(21)16-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2/p+1