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

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-ium-1-yl]-N-[(Z)-(4-phenylphenyl)methylideneamino]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-(4-phenylphenyl)methyleneamino]acetamide CAS Name: 2-[4-(phenylmethyl)-1-piperazin-1-iumyl]-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-(4-phenylbenzylidene)amino]acetamide Formula: C26H29N4O+ MolecularWeight: 413.53466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NN=CC2=CC=C(C=C2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N/N=C\C2=CC=C(C=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O/c31-26(21-30-17-15-29(16-18-30)20-23-7-3-1-4-8-23)28-27-19-22-11-13-25(14-12-22)24-9-5-2-6-10-24/h1-14,19H,15-18,20-21H2,(H,28,31)/p+1/b27-19-