(2R)-N-(1,3-benzodioxol-5-yl)-2-(3-ethanoylpyridin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(3-ethanoylpyridin-1-ium-1-yl)propanamide Openeye Name: (2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide CAS Name: (2R)-2-(3-acetyl-1-pyridin-1-iumyl)-N-(1,3-benzodioxol-5-yl)propanamide IUPAC Name: (2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide Traditional Name: (2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(1,3-benzodioxol-5-yl)propionamide Formula: C17H17N2O4+ MolecularWeight: 313.32788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[N+]3=CC=CC(=C3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[N+]3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C17H16N2O4/c1-11(19-7-3-4-13(9-19)12(2)20)17(21)18-14-5-6-15-16(8-14)23-10-22-15/h3-9,11H,10H2,1-2H3/p+1/t11-/m1/s1