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

Systemtic Name: (1Z)-N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-3-methyl-benzenecarboximidate Openeye Name: (1Z)-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-3-methyl-benzenecarboximidate CAS Name: (1Z)-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-1-piperazin-1-iumyl]-3-methylbenzenecarboximidate IUPAC Name: (1Z)-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-3-methylbenzenecarboximidate Traditional Name: (1Z)-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-3-methyl-benzenecarboximidate Formula: C26H26ClN5O MolecularWeight: 459.97054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=N[N+]2(CCN(CC2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl)C)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)/C(=N/[N+]2(CCN(CC2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl)C)/[O-]

InChI

InChI=1S/C26H26ClN5O/c1-18-6-5-7-19(16-18)26(33)30-32(2)14-12-31(13-15-32)25-21-8-3-4-9-22(21)28-23-11-10-20(27)17-24(23)29-25/h3-11,16-17H,12-15H2,1-2H3,(H-,28,29,30,33)