N-[2-[(2S)-butan-2-yl]phenyl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide Openeye Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-(3-hydroxy-1-pyridin-1-iumyl)acetamide IUPAC Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Traditional Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C17H21N2O2+ MolecularWeight: 285.36084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C[N+]2=CC=CC(=C2)O

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C[N+]2=CC=CC(=C2)O

InChI

InChI=1S/C17H20N2O2/c1-3-13(2)15-8-4-5-9-16(15)18-17(21)12-19-10-6-7-14(20)11-19/h4-11,13H,3,12H2,1-2H3,(H-,18,20,21)/p+1/t13-/m0/s1