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

Systemtic Name: N-[(E)-(3-phenoxyphenyl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-(3-phenoxyphenyl)methyleneamino]acetamide CAS Name: N-[(E)-(3-phenoxyphenyl)methylideneamino]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-(3-phenoxybenzylidene)amino]acetamide Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NN=CC2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N/N=C/C2=CC(=CC=C2)OC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O2/c31-26(21-30-16-14-29(15-17-30)20-22-8-3-1-4-9-22)28-27-19-23-10-7-13-25(18-23)32-24-11-5-2-6-12-24/h1-13,18-19H,14-17,20-21H2,(H,28,31)/p+1/b27-19+