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

Systemtic Name: N-[4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-3-phenyl-propanamide Openeye Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-3-phenyl-propanamide CAS Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-1-piperazin-1-iumyl]-3-phenylpropanamide IUPAC Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methylpiperazin-1-ium-1-yl]-3-phenylpropanamide Traditional Name: N-[4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-methyl-piperazin-1-ium-1-yl]-3-phenyl-propionamide Formula: C27H29ClN5O+ MolecularWeight: 475.00506

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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)CCC5=CC=CC=C5

Isomeric SMILES

C[N+]1(CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)NC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C27H28ClN5O/c1-33(31-26(34)14-11-20-7-3-2-4-8-20)17-15-32(16-18-33)27-22-9-5-6-10-23(22)29-24-13-12-21(28)19-25(24)30-27/h2-10,12-13,19H,11,14-18H2,1H3,(H-,29,30,31,34)/p+1