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

Systemtic Name: 2-(3-oxidanylpyridin-1-ium-1-yl)-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-(3-hydroxy-1-pyridin-1-iumyl)-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-[(1S)-1-methylbutyl]acetamide Formula: C12H19N2O2+ MolecularWeight: 223.29146

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C[N+]1=CC=CC(=C1)O

Isomeric SMILES

CCC[C@H](C)NC(=O)C[N+]1=CC=CC(=C1)O

InChI

InChI=1S/C12H18N2O2/c1-3-5-10(2)13-12(16)9-14-7-4-6-11(15)8-14/h4,6-8,10H,3,5,9H2,1-2H3,(H-,13,15,16)/p+1/t10-/m0/s1