(2R)-4-methyl-2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxy-pentanoic acid

Systemtic Name: (2R)-4-methyl-2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyloxy-pentanoic acid Openeye Name: (2R)-4-methyl-2-(1-oxidopyridin-1-ium-4-carbonyl)oxy-pentanoic acid CAS Name: (2R)-4-methyl-2-[(1-oxido-4-pyridin-1-iumyl)-oxomethoxy]pentanoic acid IUPAC Name: (2R)-4-methyl-2-(1-oxidopyridin-1-ium-4-carbonyl)oxypentanoic acid Traditional Name: (2R)-4-methyl-2-(1-oxidopyridin-1-ium-4-carbonyl)oxy-valeric acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@H](C(=O)O)OC(=O)C1=CC=[N+](C=C1)[O-]

InChI

InChI=1S/C12H15NO5/c1-8(2)7-10(11(14)15)18-12(16)9-3-5-13(17)6-4-9/h3-6,8,10H,7H2,1-2H3,(H,14,15)/t10-/m1/s1