N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylpyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylpyridin-1-ium-1-yl)ethanamide Openeye Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-(4-methylpyridin-1-ium-1-yl)acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-(4-methyl-1-pyridin-1-iumyl)acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylpyridin-1-ium-1-yl)acetamide Traditional Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-(4-methylpyridin-1-ium-1-yl)acetamide Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2/c1-4-11(3)14-13(18)15-12(17)9-16-7-5-10(2)6-8-16/h5-8,11H,4,9H2,1-3H3,(H-,14,15,17,18)/p+1/t11-/m0/s1