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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)C(C)C(=O)NC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C([N+](=CC=C1)[C@H](C)C(=O)NC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C17H18N2O3/c1-11-5-4-8-19(12(11)2)13(3)17(20)18-14-6-7-15-16(9-14)22-10-21-15/h4-9,13H,10H2,1-3H3/p+1/t13-/m1/s1