N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=C(C=CC=N2)CNC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=C(C=CC=N2)CNC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C21H27N3O2/c1-16-8-6-9-17(2)20(16)26-21-18(10-7-11-22-21)14-23-19(25)15-24-12-4-3-5-13-24/h6-11H,3-5,12-15H2,1-2H3,(H,23,25)/p+1