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

Systemtic Name: N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-3-ethanoyl-benzamide Openeye Name: 3-acetyl-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]benzamide CAS Name: 3-acetyl-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-1-piperazin-1-iumyl]benzamide IUPAC Name: 3-acetyl-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]benzamide Traditional Name: 3-acetyl-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]benzamide Formula: C27H27ClN5O2+ MolecularWeight: 488.98858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C(=O)N[N+]2(CCN(CC2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C(=O)N[N+]2(CCN(CC2)C3=C4C=CC=CC4=NC5=C(N3)C=C(C=C5)Cl)C

InChI

InChI=1S/C27H26ClN5O2/c1-18(34)19-6-5-7-20(16-19)27(35)31-33(2)14-12-32(13-15-33)26-22-8-3-4-9-23(22)29-24-11-10-21(28)17-25(24)30-26/h3-11,16-17H,12-15H2,1-2H3,(H-,29,30,31,35)/p+1