N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-8-phenyl-octanamide

Systemtic Name: N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-8-phenyl-octanamide Openeye Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-8-phenyl-octanamide CAS Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-1-piperazin-1-iumyl]-8-phenyloctanamide IUPAC Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-8-phenyloctanamide Traditional Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-8-phenyl-caprylamide Formula: C32H39ClN5O+ MolecularWeight: 545.13796

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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)CCCCCCCC5=CC=CC=C5

Isomeric SMILES

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)NC(=O)CCCCCCCC5=CC=CC=C5

InChI

InChI=1S/C32H38ClN5O/c1-38(36-31(39)17-9-4-2-3-6-12-25-13-7-5-8-14-25)22-20-37(21-23-38)32-27-15-10-11-16-28(27)34-29-19-18-26(33)24-30(29)35-32/h5,7-8,10-11,13-16,18-19,24H,2-4,6,9,12,17,20-23H2,1H3,(H-,34,35,36,39)/p+1