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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propylpyridin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propylpyridin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propyl-1-pyridin-1-iumyl)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propylpyridin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-piperonyl-2-(4-propylpyridin-1-ium-1-yl)propionamide Formula: C19H23N2O3+ MolecularWeight: 327.39752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC1=CC=[N+](C=C1)[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H22N2O3/c1-3-4-15-7-9-21(10-8-15)14(2)19(22)20-12-16-5-6-17-18(11-16)24-13-23-17/h5-11,14H,3-4,12-13H2,1-2H3/p+1/t14-/m1/s1