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

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

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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)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C26H26ClN5O/c1-32(30-25(33)17-19-7-3-2-4-8-19)15-13-31(14-16-32)26-21-9-5-6-10-22(21)28-23-12-11-20(27)18-24(23)29-26/h2-12,18H,13-17H2,1H3,(H-,28,29,30,33)/p+1