2-(2-cyanophenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2-cyanophenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2-cyanophenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2-cyanophenoxy)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-cyanophenoxy)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(2-cyanophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C22H25N3O2/c23-14-20-6-2-3-7-21(20)27-17-22(26)24-15-18-8-10-19(11-9-18)16-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-13,15-17H2,(H,24,26)/p+1