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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dimethylpyridin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dimethylpyridin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dimethyl-1-pyridin-1-iumyl)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dimethylpyridin-1-ium-1-yl)propanamide Traditional Name: (2R)-2-(2,3-dimethylpyridin-1-ium-1-yl)-N-piperonyl-propionamide Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3/c1-12-5-4-8-20(13(12)2)14(3)18(21)19-10-15-6-7-16-17(9-15)23-11-22-16/h4-9,14H,10-11H2,1-3H3/p+1/t14-/m1/s1