2-cyano-N-[[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]ethanamide

Systemtic Name: 2-cyano-N-[[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]ethanamide Openeye Name: 2-cyano-N-[[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]acetamide CAS Name: 2-cyano-N-[[4-methoxy-3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methyl]acetamide IUPAC Name: 2-cyano-N-[[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]acetamide Traditional Name: 2-cyano-N-[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)benzyl]acetamide Formula: C18H26N3O3+ MolecularWeight: 332.41734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CC#N)OCC[NH+]2CCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CC#N)OCC[NH+]2CCCCC2

InChI

InChI=1S/C18H25N3O3/c1-23-16-6-5-15(14-20-18(22)7-8-19)13-17(16)24-12-11-21-9-3-2-4-10-21/h5-6,13H,2-4,7,9-12,14H2,1H3,(H,20,22)/p+1