3-[4-(cyanomethyl)piperazine-1,4-diium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide

Systemtic Name: 3-[4-(cyanomethyl)piperazine-1,4-diium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide Openeye Name: N-(4-benzyloxyphenyl)-3-[4-(cyanomethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: 3-[4-(cyanomethyl)-1-piperazine-1,4-diiumyl]-N-(4-phenylmethoxyphenyl)propanamide IUPAC Name: 3-[4-(cyanomethyl)piperazine-1,4-diium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: N-(4-benzoxyphenyl)-3-[4-(cyanomethyl)piperazine-1,4-diium-1-yl]propionamide Formula: C22H28N4O2+2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC#N

Isomeric SMILES

C1C[NH+](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+2