[ethyl-(1-methylpyridin-1-ium-3-yl)carbonyl-amino] 2-propan-2-ylpentanoate iodide

Systemtic Name: [ethyl-(1-methylpyridin-1-ium-3-yl)carbonyl-amino] 2-propan-2-ylpentanoate iodide Openeye Name: [ethyl-(1-methylpyridin-1-ium-3-carbonyl)amino] 2-isopropylpentanoate iodide CAS Name: 2-propan-2-ylpentanoic acid [ethyl-[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino] ester iodide IUPAC Name: [ethyl-(1-methylpyridin-1-ium-3-carbonyl)amino] 2-propan-2-ylpentanoate iodide Traditional Name: 2-isopropylvaleric acid [ethyl-(1-methylpyridin-1-ium-3-carbonyl)amino] ester iodide Formula: C17H27IN2O3 MolecularWeight: 434.31235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N2O3.HI/c1-6-9-15(13(3)4)17(21)22-19(7-2)16(20)14-10-8-11-18(5)12-14;/h8,10-13,15H,6-7,9H2,1-5H3;1H/q+1;/p-1