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

Systemtic Name: N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-5-phenyl-pentanamide Openeye Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-5-phenyl-pentanamide CAS Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-1-piperazin-1-iumyl]-5-phenylpentanamide IUPAC Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-5-phenylpentanamide Traditional Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-5-phenyl-valeramide Formula: C29H33ClN5O+ MolecularWeight: 503.05822

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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)CCCCC5=CC=CC=C5

Isomeric SMILES

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)NC(=O)CCCCC5=CC=CC=C5

InChI

InChI=1S/C29H32ClN5O/c1-35(33-28(36)14-8-5-11-22-9-3-2-4-10-22)19-17-34(18-20-35)29-24-12-6-7-13-25(24)31-26-16-15-23(30)21-27(26)32-29/h2-4,6-7,9-10,12-13,15-16,21H,5,8,11,14,17-20H2,1H3,(H-,31,32,33,36)/p+1