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

Systemtic Name: 1-[(4-bromophenyl)methyl]-8-methyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Openeye Name: 1-[(4-bromophenyl)methyl]-8-methyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one CAS Name: 1-[(4-bromophenyl)methyl]-8-methyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one IUPAC Name: 1-[(4-bromophenyl)methyl]-8-methyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Traditional Name: 1-(4-bromobenzyl)-8-methyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Formula: C24H22BrN2O+ MolecularWeight: 434.34828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NCCC(=O)[N+](=C2C=C1)CC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(NCCC(=O)[N+](=C2C=C1)CC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C24H21BrN2O/c1-17-7-12-22-21(15-17)24(19-5-3-2-4-6-19)26-14-13-23(28)27(22)16-18-8-10-20(25)11-9-18/h2-12,15H,13-14,16H2,1H3/p+1