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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethanoylpyridin-1-ium-1-yl)propanamide Openeye Name: (2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide CAS Name: (2R)-2-(3-acetyl-1-pyridin-1-iumyl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide IUPAC Name: (2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide Traditional Name: (2R)-2-(3-acetylpyridin-1-ium-1-yl)-N-piperonyl-propionamide Formula: C18H19N2O4+ MolecularWeight: 327.35446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)[N+]3=CC=CC(=C3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[N+]3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C18H18N2O4/c1-12(20-7-3-4-15(10-20)13(2)21)18(22)19-9-14-5-6-16-17(8-14)24-11-23-16/h3-8,10,12H,9,11H2,1-2H3/p+1/t12-/m1/s1