(2-oxidanyl-3-pyridin-1-ium-1-yl-propyl) 4-acetyloxy-2-ethyl-2-methyl-pentanoate

Systemtic Name: (2-oxidanyl-3-pyridin-1-ium-1-yl-propyl) 4-acetyloxy-2-ethyl-2-methyl-pentanoate Openeye Name: (2-hydroxy-3-pyridin-1-ium-1-yl-propyl) 4-acetoxy-2-ethyl-2-methyl-pentanoate CAS Name: 4-acetyloxy-2-ethyl-2-methylpentanoic acid [2-hydroxy-3-(1-pyridin-1-iumyl)propyl] ester IUPAC Name: (2-hydroxy-3-pyridin-1-ium-1-ylpropyl) 4-acetyloxy-2-ethyl-2-methylpentanoate Traditional Name: 4-acetoxy-2-ethyl-2-methyl-valeric acid (2-hydroxy-3-pyridin-1-ium-1-yl-propyl) ester Formula: C18H28NO5+ MolecularWeight: 338.41862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)OC(=O)C)C(=O)OCC(C[N+]1=CC=CC=C1)O

Isomeric SMILES

CCC(C)(CC(C)OC(=O)C)C(=O)OCC(C[N+]1=CC=CC=C1)O

InChI

InChI=1S/C18H28NO5/c1-5-18(4,11-14(2)24-15(3)20)17(22)23-13-16(21)12-19-9-7-6-8-10-19/h6-10,14,16,21H,5,11-13H2,1-4H3/q+1