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

Systemtic Name: (2S)-N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide Openeye Name: (2S)-N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide CAS Name: (2S)-N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-1-methyl-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-1-methylpiperidin-1-ium-2-carboxamide Traditional Name: (2S)-N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]-1-methyl-piperidin-1-ium-2-carboxamide 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)C3CCCC[NH+]3C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-15-8-6-9-16(2)19(15)26-21-17(10-7-12-22-21)14-23-20(25)18-11-4-5-13-24(18)3/h6-10,12,18H,4-5,11,13-14H2,1-3H3,(H,23,25)/p+1/t18-/m0/s1