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

Systemtic Name: N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-4-methoxy-benzamide Openeye Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-4-methoxy-benzamide CAS Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-1-piperazin-1-iumyl]-4-methoxybenzamide IUPAC Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-4-methoxybenzamide Traditional Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-4-methoxy-benzamide Formula: C26H27ClN5O2+ MolecularWeight: 476.97788

Click to see the large picture

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=C(C=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN5O2/c1-32(30-26(33)18-7-10-20(34-2)11-8-18)15-13-31(14-16-32)25-21-5-3-4-6-22(21)28-23-12-9-19(27)17-24(23)29-25/h3-12,17H,13-16H2,1-2H3,(H-,28,29,30,33)/p+1