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

Systemtic Name: N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-2-(trifluoromethyl)benzamide Openeye Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-2-(trifluoromethyl)benzamide CAS Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-1-piperazin-1-iumyl]-2-(trifluoromethyl)benzamide IUPAC Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-2-(trifluoromethyl)benzamide Traditional Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-2-(trifluoromethyl)benzamide Formula: C26H24ClF3N5O+ MolecularWeight: 514.94987

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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)C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)NC(=O)C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C26H23ClF3N5O/c1-35(33-25(36)18-6-2-4-8-20(18)26(28,29)30)14-12-34(13-15-35)24-19-7-3-5-9-21(19)31-22-11-10-17(27)16-23(22)32-24/h2-11,16H,12-15H2,1H3,(H-,31,32,33,36)/p+1