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

Systemtic Name: 8-bromanyl-1-[[4-(diethylamino)phenyl]methyl]-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Openeye Name: 8-bromo-1-[[4-(diethylamino)phenyl]methyl]-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one CAS Name: 8-bromo-1-[[4-(diethylamino)phenyl]methyl]-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one IUPAC Name: 8-bromo-1-[[4-(diethylamino)phenyl]methyl]-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Traditional Name: 8-bromo-1-[4-(diethylamino)benzyl]-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Formula: C27H29BrN3O+ MolecularWeight: 491.44266

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C[N+]2=C3C=CC(=CC3=C(NCCC2=O)C4=CC=CC=C4)Br

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C[N+]2=C3C=CC(=CC3=C(NCCC2=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C27H28BrN3O/c1-3-30(4-2)23-13-10-20(11-14-23)19-31-25-15-12-22(28)18-24(25)27(29-17-16-26(31)32)21-8-6-5-7-9-21/h5-15,18H,3-4,16-17,19H2,1-2H3/p+1