7-bromanyl-1-methyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one

Systemtic Name: 7-bromanyl-1-methyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one Openeye Name: 7-bromo-1-methyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one CAS Name: 7-bromo-1-methyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one IUPAC Name: 7-bromo-1-methyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one Traditional Name: 7-bromo-1-methyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-one Formula: C16H13BrN2O2 MolecularWeight: 345.19062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C[N+](=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3)[O-]

Isomeric SMILES

CN1C(=O)C[N+](=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C16H13BrN2O2/c1-18-14-8-7-12(17)9-13(14)16(19(21)10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3