(2S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2-phenoxy-propanamide

Systemtic Name: (2S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2-phenoxy-propanamide Openeye Name: (2S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2-phenoxy-propanamide CAS Name: (2S)-N-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]-2-phenoxypropanamide IUPAC Name: (2S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2-phenoxypropanamide Traditional Name: (2S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2-phenoxy-propionamide Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=C([NH+]=CC=C1)N(C)C)OC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NCC1=C([NH+]=CC=C1)N(C)C)OC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O2/c1-13(22-15-9-5-4-6-10-15)17(21)19-12-14-8-7-11-18-16(14)20(2)3/h4-11,13H,12H2,1-3H3,(H,19,21)/p+1/t13-/m0/s1