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

Systemtic Name: 8-bromanyl-1-methyl-5-oxidanidyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: 8-bromo-1-methyl-5-oxido-6-(2-pyridyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: 8-bromo-1-methyl-5-oxido-6-(2-pyridinyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: 8-bromo-1-methyl-5-oxido-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: 8-bromo-1-methyl-5-oxido-6-(2-pyridyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-5-ium Formula: C17H13BrN4O MolecularWeight: 369.21532

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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=CC=N4

Isomeric SMILES

CC1=CN=C2N1C3=C(C=C(C=C3)Br)C(=[N+](C2)[O-])C4=CC=CC=N4

InChI

InChI=1S/C17H13BrN4O/c1-11-9-20-16-10-21(23)17(14-4-2-3-7-19-14)13-8-12(18)5-6-15(13)22(11)16/h2-9H,10H2,1H3