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

Systemtic Name: 3-phenylmethoxy-2-pyridin-3-ylcarbonyl-4-(trimethylazaniumyl)butanoate Openeye Name: 3-benzyloxy-2-(pyridine-3-carbonyl)-4-(trimethylammonio)butanoate CAS Name: 2-[oxo(3-pyridinyl)methyl]-3-phenylmethoxy-4-(trimethylammonio)butanoate IUPAC Name: 3-phenylmethoxy-2-(pyridine-3-carbonyl)-4-(trimethylazaniumyl)butanoate Traditional Name: 3-benzoxy-2-nicotinoyl-4-(trimethylammonio)butyrate Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(C(C(=O)C1=CN=CC=C1)C(=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)CC(C(C(=O)C1=CN=CC=C1)C(=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C20H24N2O4/c1-22(2,3)13-17(26-14-15-8-5-4-6-9-15)18(20(24)25)19(23)16-10-7-11-21-12-16/h4-12,17-18H,13-14H2,1-3H3