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

Systemtic Name: (3S)-N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-1-methyl-pyrrolidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]-1-methyl-pyrrolidin-1-ium-3-carboxamide CAS Name: (3S)-N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-1-methyl-3-pyrrolidin-1-iumcarboxamide IUPAC Name: (3S)-N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-1-methylpyrrolidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]-1-methyl-pyrrolidin-1-ium-3-carboxamide Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=C(C=CC=N2)CNC(=O)C3CC[NH+](C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=C(C=CC=N2)CNC(=O)[C@H]3CC[NH+](C3)C

InChI

InChI=1S/C20H25N3O2/c1-14-6-4-7-15(2)18(14)25-20-16(8-5-10-21-20)12-22-19(24)17-9-11-23(3)13-17/h4-8,10,17H,9,11-13H2,1-3H3,(H,22,24)/p+1/t17-/m0/s1