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

Systemtic Name: N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-4-ethanoyl-benzamide Openeye Name: 4-acetyl-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]benzamide CAS Name: 4-acetyl-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-1-piperazin-1-iumyl]benzamide IUPAC Name: 4-acetyl-N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]benzamide Traditional Name: 4-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=C(C=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=C(C=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)19-7-9-20(10-8-19)27(35)31-33(2)15-13-32(14-16-33)26-22-5-3-4-6-23(22)29-24-12-11-21(28)17-25(24)30-26/h3-12,17H,13-16H2,1-2H3,(H-,29,30,31,35)/p+1