N-[3-chloranyl-6-(4-methylpiperazin-4-ium-1-yl)benzo[b][1,4]benzodiazepin-11-yl]hexanamide

Systemtic Name: N-[3-chloranyl-6-(4-methylpiperazin-4-ium-1-yl)benzo[b][1,4]benzodiazepin-11-yl]hexanamide Openeye Name: N-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)benzo[b][1,4]benzodiazepin-11-yl]hexanamide CAS Name: N-[3-chloro-6-(4-methyl-1-piperazin-4-iumyl)-11-benzo[b][1,4]benzodiazepinyl]hexanamide IUPAC Name: N-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)benzo[b][1,4]benzodiazepin-11-yl]hexanamide Traditional Name: N-[3-chloro-6-(4-methylpiperazin-4-ium-1-yl)benzo[b][1,4]benzodiazepin-11-yl]hexanamide Formula: C24H31ClN5O+ MolecularWeight: 440.98884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NN1C2=C(C=C(C=C2)Cl)N=C(C3=CC=CC=C31)N4CC[NH+](CC4)C

Isomeric SMILES

CCCCCC(=O)NN1C2=C(C=C(C=C2)Cl)N=C(C3=CC=CC=C31)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H30ClN5O/c1-3-4-5-10-23(31)27-30-21-9-7-6-8-19(21)24(29-15-13-28(2)14-16-29)26-20-17-18(25)11-12-22(20)30/h6-9,11-12,17H,3-5,10,13-16H2,1-2H3,(H,27,31)/p+1