(2S)-N-(3-methylphenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-methylphenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)propanamide Openeye Name: (2S)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(m-tolyl)propanamide CAS Name: (2S)-2-(3-hydroxy-1-pyridin-1-iumyl)-N-(3-methylphenyl)propanamide IUPAC Name: (2S)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(3-methylphenyl)propanamide Traditional Name: (2S)-2-(3-hydroxypyridin-1-ium-1-yl)-N-(m-tolyl)propionamide Formula: C15H17N2O2+ MolecularWeight: 257.30768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)[N+]2=CC=CC(=C2)O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)[N+]2=CC=CC(=C2)O

InChI

InChI=1S/C15H16N2O2/c1-11-5-3-6-13(9-11)16-15(19)12(2)17-8-4-7-14(18)10-17/h3-10,12H,1-2H3,(H-,16,18,19)/p+1/t12-/m0/s1