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

Systemtic Name: 8-bromanyl-6-(furan-2-yl)-1-methyl-5-oxidanidyl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 8-bromo-6-(2-furyl)-1-methyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 8-bromo-6-(2-furanyl)-1-methyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 8-bromo-6-(furan-2-yl)-1-methyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 8-bromo-6-(2-furyl)-1-methyl-5-oxido-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C16H12BrN3O2 MolecularWeight: 358.18938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2N1C3=C(C=C(C=C3)Br)C(=[N+](C2)[O-])C4=CC=CO4

Isomeric SMILES

CC1=CN=C2N1C3=C(C=C(C=C3)Br)C(=[N+](C2)[O-])C4=CC=CO4

InChI

InChI=1S/C16H12BrN3O2/c1-10-8-18-15-9-19(21)16(14-3-2-6-22-14)12-7-11(17)4-5-13(12)20(10)15/h2-8H,9H2,1H3