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

Systemtic Name: 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(3-oxidanylpyridin-1-ium-2-yl)ethanamide Openeye Name: N-(3-hydroxypyridin-1-ium-2-yl)-2-[2-[(1S)-1-methylpropyl]phenoxy]acetamide CAS Name: 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(3-hydroxy-2-pyridin-1-iumyl)acetamide IUPAC Name: 2-[2-[(2S)-butan-2-yl]phenoxy]-N-(3-hydroxypyridin-1-ium-2-yl)acetamide Traditional Name: N-(3-hydroxypyridin-1-ium-2-yl)-2-[2-[(1S)-1-methylpropyl]phenoxy]acetamide Formula: C17H21N2O3+ MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)NC2=C(C=CC=[NH+]2)O

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCC(=O)NC2=C(C=CC=[NH+]2)O

InChI

InChI=1S/C17H20N2O3/c1-3-12(2)13-7-4-5-9-15(13)22-11-16(21)19-17-14(20)8-6-10-18-17/h4-10,12,20H,3,11H2,1-2H3,(H,18,19,21)/p+1/t12-/m0/s1