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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1C(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=[N+]1[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

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