N-[(Z)-(4-bromophenyl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(Z)-(4-bromophenyl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-(4-bromophenyl)methyleneamino]acetamide CAS Name: N-[(Z)-(4-bromophenyl)methylideneamino]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-(4-bromobenzylidene)amino]acetamide Formula: C20H24BrN4O+ MolecularWeight: 416.33476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NN=CC2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N/N=C\C2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C20H23BrN4O/c21-19-8-6-17(7-9-19)14-22-23-20(26)16-25-12-10-24(11-13-25)15-18-4-2-1-3-5-18/h1-9,14H,10-13,15-16H2,(H,23,26)/p+1/b22-14-