8-bromanyl-6-(furan-2-yl)-1,2-dimethyl-5-oxidanidyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium

Systemtic Name: 8-bromanyl-6-(furan-2-yl)-1,2-dimethyl-5-oxidanidyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 8-bromo-6-(2-furyl)-1,2-dimethyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 8-bromo-6-(2-furanyl)-1,2-dimethyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 8-bromo-6-(furan-2-yl)-1,2-dimethyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 8-bromo-6-(2-furyl)-1,2-dimethyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C17H14BrN3O2 MolecularWeight: 372.21596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=N1)C[N+](=C(C3=C2C=CC(=C3)Br)C4=CC=CO4)[O-])C

Isomeric SMILES

CC1=C(N2C(=N1)C[N+](=C(C3=C2C=CC(=C3)Br)C4=CC=CO4)[O-])C

InChI

InChI=1S/C17H14BrN3O2/c1-10-11(2)21-14-6-5-12(18)8-13(14)17(15-4-3-7-23-15)20(22)9-16(21)19-10/h3-8H,9H2,1-2H3