(1Z)-4-bromanyl-N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]benzenecarboximidate

Systemtic Name: (1Z)-4-bromanyl-N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]benzenecarboximidate Openeye Name: (1Z)-4-bromo-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]benzenecarboximidate CAS Name: (1Z)-4-bromo-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-1-piperazin-1-iumyl]benzenecarboximidate IUPAC Name: (1Z)-4-bromo-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]benzenecarboximidate Traditional Name: (1Z)-4-bromo-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]benzenecarboximidate Formula: C25H23BrClN5O MolecularWeight: 524.84002

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)N=C(C5=CC=C(C=C5)Br)[O-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)/N=C(/C5=CC=C(C=C5)Br)\[O-]

InChI

InChI=1S/C25H23BrClN5O/c1-32(30-25(33)17-6-8-18(26)9-7-17)14-12-31(13-15-32)24-20-4-2-3-5-21(20)28-22-11-10-19(27)16-23(22)29-24/h2-11,16H,12-15H2,1H3,(H-,28,29,30,33)