N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-2-methyl-benzamide

Systemtic Name: N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-2-methyl-benzamide Openeye Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-2-methyl-benzamide CAS Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-1-piperazin-1-iumyl]-2-methylbenzamide IUPAC Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-2-methylbenzamide Traditional Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-2-methyl-benzamide Formula: C26H27ClN5O+ MolecularWeight: 460.97848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N[N+]2(CCN(CC2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[N+]2(CCN(CC2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl)C

InChI

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