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

Systemtic Name: 1-[(3-bromophenyl)methyl]-8-methyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Openeye Name: 1-[(3-bromophenyl)methyl]-8-methyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one CAS Name: 1-[(3-bromophenyl)methyl]-8-methyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one IUPAC Name: 1-[(3-bromophenyl)methyl]-8-methyl-6-phenyl-4,5-dihydro-3H-1,5-benzodiazocin-1-ium-2-one Traditional Name: 1-(3-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(=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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