(3-aminocarbonyl-1-ethyl-pyridin-1-ium-2-yl) 2-propylpentanoate iodide

Systemtic Name: (3-aminocarbonyl-1-ethyl-pyridin-1-ium-2-yl) 2-propylpentanoate iodide Openeye Name: (3-carbamoyl-1-ethyl-pyridin-1-ium-2-yl) 2-propylpentanoate iodide CAS Name: 2-propylpentanoic acid (3-carbamoyl-1-ethyl-2-pyridin-1-iumyl) ester iodide IUPAC Name: (3-carbamoyl-1-ethylpyridin-1-ium-2-yl) 2-propylpentanoate iodide Traditional Name: 2-propylvaleric acid (3-carbamoyl-1-ethyl-pyridin-1-ium-2-yl) ester iodide Formula: C16H25IN2O3 MolecularWeight: 420.28577

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)OC1=C(C=CC=[N+]1CC)C(=O)N.[I-]

Isomeric SMILES

CCCC(CCC)C(=O)OC1=C(C=CC=[N+]1CC)C(=O)N.[I-]

InChI

InChI=1S/C16H24N2O3.HI/c1-4-8-12(9-5-2)16(20)21-15-13(14(17)19)10-7-11-18(15)6-3;/h7,10-12H,4-6,8-9H2,1-3H3,(H-,17,19);1H