2-[4-(cyanomethyl)piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)ethanamide

Systemtic Name: 2-[4-(cyanomethyl)piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: N-(4-benzyloxyphenyl)-2-[4-(cyanomethyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(cyanomethyl)-1-piperazin-1-iumyl]-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-[4-(cyanomethyl)piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: N-(4-benzoxyphenyl)-2-[4-(cyanomethyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC#N

InChI

InChI=1S/C21H24N4O2/c22-10-11-24-12-14-25(15-13-24)16-21(26)23-19-6-8-20(9-7-19)27-17-18-4-2-1-3-5-18/h1-9H,11-17H2,(H,23,26)/p+1