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

Systemtic Name: N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-3-oxidanyl-benzamide Openeye Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-3-hydroxy-benzamide CAS Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-1-piperazin-1-iumyl]-3-hydroxybenzamide IUPAC Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-3-hydroxybenzamide Traditional Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-3-hydroxy-benzamide Formula: C25H25ClN5O2+ MolecularWeight: 462.9513

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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=C5)O

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN5O2/c1-31(29-25(33)17-5-4-6-19(32)15-17)13-11-30(12-14-31)24-20-7-2-3-8-21(20)27-22-10-9-18(26)16-23(22)28-24/h2-10,15-16H,11-14H2,1H3,(H2-,27,28,29,32,33)/p+1