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

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide Openeye Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-(3-hydroxy-1-pyridin-1-iumyl)acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-hydroxypyridin-1-ium-1-yl)acetamide Traditional Name: 2-(3-hydroxypyridin-1-ium-1-yl)-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C12H18N3O3+ MolecularWeight: 252.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3/c1-3-9(2)13-12(18)14-11(17)8-15-6-4-5-10(16)7-15/h4-7,9H,3,8H2,1-2H3,(H2-,13,14,16,17,18)/p+1/t9-/m0/s1