3-ethoxy-2-pyridin-3-ylcarbonyl-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-ethoxy-2-pyridin-3-ylcarbonyl-4-(trimethylazaniumyl)butanoate Openeye Name: 3-ethoxy-2-(pyridine-3-carbonyl)-4-(trimethylammonio)butanoate CAS Name: 3-ethoxy-2-[oxo(3-pyridinyl)methyl]-4-(trimethylammonio)butanoate IUPAC Name: 3-ethoxy-2-(pyridine-3-carbonyl)-4-(trimethylazaniumyl)butanoate Traditional Name: 3-ethoxy-2-nicotinoyl-4-(trimethylammonio)butyrate Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C[N+](C)(C)C)C(C(=O)C1=CN=CC=C1)C(=O)[O-]

Isomeric SMILES

CCOC(C[N+](C)(C)C)C(C(=O)C1=CN=CC=C1)C(=O)[O-]

InChI

InChI=1S/C15H22N2O4/c1-5-21-12(10-17(2,3)4)13(15(19)20)14(18)11-7-6-8-16-9-11/h6-9,12-13H,5,10H2,1-4H3