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

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(3-ethanoylpyridin-1-ium-1-yl)ethanamide Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-N-[[[(2S)-butan-2-yl]amino]-oxomethyl]acetamide IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-[[(2S)-butan-2-yl]carbamoyl]acetamide Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-N-[[(1S)-1-methylpropyl]carbamoyl]acetamide Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3/c1-4-10(2)15-14(20)16-13(19)9-17-7-5-6-12(8-17)11(3)18/h5-8,10H,4,9H2,1-3H3,(H-,15,16,19,20)/p+1/t10-/m0/s1