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

Systemtic Name: N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(E)-(3-benzyloxyphenyl)methyleneamino]-2-(4-benzylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]acetamide Traditional Name: N-[(E)-(3-benzoxybenzylidene)amino]-2-(4-benzylpiperazin-1-ium-1-yl)acetamide Formula: C27H31N4O2+ MolecularWeight: 443.56064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NN=CC2=CC(=CC=C2)OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N/N=C/C2=CC(=CC=C2)OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2/c32-27(21-31-16-14-30(15-17-31)20-23-8-3-1-4-9-23)29-28-19-25-12-7-13-26(18-25)33-22-24-10-5-2-6-11-24/h1-13,18-19H,14-17,20-22H2,(H,29,32)/p+1/b28-19+