(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-1-pyridin-1-iumyl)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpyridin-1-ium-1-yl)propanamide Traditional Name: (2R)-2-(4-methylpyridin-1-ium-1-yl)-N-piperonyl-propionamide Formula: C17H19N2O3+ MolecularWeight: 299.34436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=[N+](C=C1)[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N2O3/c1-12-5-7-19(8-6-12)13(2)17(20)18-10-14-3-4-15-16(9-14)22-11-21-15/h3-9,13H,10-11H2,1-2H3/p+1/t13-/m1/s1