2-(3-aminocarbonylpyridin-1-ium-1-yl)ethyl 2-propan-2-ylpentanoate iodide

Systemtic Name: 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethyl 2-propan-2-ylpentanoate iodide Openeye Name: 2-(3-carbamoylpyridin-1-ium-1-yl)ethyl 2-isopropylpentanoate iodide CAS Name: 2-propan-2-ylpentanoic acid 2-(3-carbamoyl-1-pyridin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(3-carbamoylpyridin-1-ium-1-yl)ethyl 2-propan-2-ylpentanoate iodide Traditional Name: 2-isopropylvaleric acid 2-(3-carbamoylpyridin-1-ium-1-yl)ethyl ester iodide Formula: C16H25IN2O3 MolecularWeight: 420.28577

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)C)C(=O)OCC[N+]1=CC=CC(=C1)C(=O)N.[I-]

Isomeric SMILES

CCCC(C(C)C)C(=O)OCC[N+]1=CC=CC(=C1)C(=O)N.[I-]

InChI

InChI=1S/C16H24N2O3.HI/c1-4-6-14(12(2)3)16(20)21-10-9-18-8-5-7-13(11-18)15(17)19;/h5,7-8,11-12,14H,4,6,9-10H2,1-3H3,(H-,17,19);1H