2-chloranyl-4-nitro-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide

Systemtic Name: 2-chloranyl-4-nitro-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-chloro-4-nitro-benzamide CAS Name: 2-chloro-4-nitro-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-chloro-4-nitro-benzamide Formula: C24H24ClN4O3+ MolecularWeight: 451.92536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H23ClN4O3/c25-23-16-21(29(31)32)10-11-22(23)24(30)26-19-6-8-20(9-7-19)28-14-12-27(13-15-28)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,26,30)/p+1