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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxidanylpyridin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-hydroxypyridin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-hydroxy-1-pyridin-1-iumyl)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-hydroxypyridin-1-ium-1-yl)propanamide Traditional Name: (2R)-2-(3-hydroxypyridin-1-ium-1-yl)-N-piperonyl-propionamide Formula: C16H17N2O4+ MolecularWeight: 301.31718

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)O

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-11(18-6-2-3-13(19)9-18)16(20)17-8-12-4-5-14-15(7-12)22-10-21-14/h2-7,9,11H,8,10H2,1H3,(H-,17,19,20)/p+1/t11-/m1/s1