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

Systemtic Name: N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-6-phenyl-hexanamide Openeye Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-6-phenyl-hexanamide CAS Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-1-piperazin-1-iumyl]-6-phenylhexanamide IUPAC Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-6-phenylhexanamide Traditional Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-6-phenyl-hexanamide Formula: C30H35ClN5O+ MolecularWeight: 517.0848

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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)CCCCCC5=CC=CC=C5

Isomeric SMILES

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)NC(=O)CCCCCC5=CC=CC=C5

InChI

InChI=1S/C30H34ClN5O/c1-36(34-29(37)15-7-3-6-12-23-10-4-2-5-11-23)20-18-35(19-21-36)30-25-13-8-9-14-26(25)32-27-17-16-24(31)22-28(27)33-30/h2,4-5,8-11,13-14,16-17,22H,3,6-7,12,15,18-21H2,1H3,(H-,32,33,34,37)/p+1