3-[4-(cyanomethyl)piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide

Systemtic Name: 3-[4-(cyanomethyl)piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide Openeye Name: N-(4-benzyloxyphenyl)-3-[4-(cyanomethyl)piperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-(cyanomethyl)-1-piperazin-1-iumyl]-N-(4-phenylmethoxyphenyl)propanamide IUPAC Name: 3-[4-(cyanomethyl)piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: N-(4-benzoxyphenyl)-3-[4-(cyanomethyl)piperazin-1-ium-1-yl]propionamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/c23-11-13-26-16-14-25(15-17-26)12-10-22(27)24-20-6-8-21(9-7-20)28-18-19-4-2-1-3-5-19/h1-9H,10,12-18H2,(H,24,27)/p+1