N-[(2S)-butan-2-yl]-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-[(1S)-1-methylpropyl]acetamide CAS Name: 2-(4-benzoyl-1-pyridin-1-iumyl)-N-[(2S)-butan-2-yl]acetamide IUPAC Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-[(2S)-butan-2-yl]acetamide Traditional Name: 2-(4-benzoylpyridin-1-ium-1-yl)-N-[(1S)-1-methylpropyl]acetamide Formula: C18H21N2O2+ MolecularWeight: 297.37154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C[N+]1=CC=C(C=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)NC(=O)C[N+]1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H20N2O2/c1-3-14(2)19-17(21)13-20-11-9-16(10-12-20)18(22)15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3/p+1/t14-/m0/s1