N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-(3-bromophenyl)methyleneamino]acetamide CAS Name: N-[(E)-(3-bromophenyl)methylideneamino]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-(3-bromophenyl)methylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-(3-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(=CC=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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