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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylpyridin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylpyridin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethyl-1-pyridin-1-iumyl)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylpyridin-1-ium-1-yl)propanamide Traditional Name: (2R)-2-(4-ethylpyridin-1-ium-1-yl)-N-piperonyl-propionamide Formula: C18H21N2O3+ MolecularWeight: 313.37094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)C(C)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=CC=[N+](C=C1)[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O3/c1-3-14-6-8-20(9-7-14)13(2)18(21)19-11-15-4-5-16-17(10-15)23-12-22-16/h4-10,13H,3,11-12H2,1-2H3/p+1/t13-/m1/s1