N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide CAS Name: N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(4-hydroxy-1-piperidin-1-iumyl)acetamide IUPAC Name: N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Traditional Name: N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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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+]3CCC(CC3)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=C(C=CC=N2)CNC(=O)C[NH+]3CCC(CC3)O

InChI

InChI=1S/C21H27N3O3/c1-15-5-3-6-16(2)20(15)27-21-17(7-4-10-22-21)13-23-19(26)14-24-11-8-18(25)9-12-24/h3-7,10,18,25H,8-9,11-14H2,1-2H3,(H,23,26)/p+1