N-[(3-bromophenyl)methylideneamino]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(3-bromophenyl)methylideneamino]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(3-bromophenyl)methyleneamino]acetamide CAS Name: N-[(3-bromophenyl)methylideneamino]-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(3-bromophenyl)methylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(3-bromobenzylidene)amino]acetamide Formula: C20H25BrN4O+2 MolecularWeight: 417.3427

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)NN=CC3=CC(=CC=C3)Br

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(=O)NN=CC3=CC(=CC=C3)Br

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+2