1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-2-oxidanylidene-3H-pyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-2-oxidanylidene-3H-pyridin-1-ium-3-carboxylic acid Openeye Name: 1-[(1-tert-butoxycarbonyl-4-piperidyl)methyl]-2-oxo-3H-pyridin-1-ium-3-carboxylic acid CAS Name: 1-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]methyl]-2-oxo-3H-pyridin-1-ium-3-carboxylic acid IUPAC Name: 1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-2-oxo-3H-pyridin-1-ium-3-carboxylic acid Traditional Name: 1-[(1-tert-butoxycarbonyl-4-piperidyl)methyl]-2-keto-3H-pyridin-1-ium-3-carboxylic acid Formula: C17H25N2O5+ MolecularWeight: 337.3908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C[N+]2=CC=CC(C2=O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C[N+]2=CC=CC(C2=O)C(=O)O

InChI

InChI=1S/C17H24N2O5/c1-17(2,3)24-16(23)18-9-6-12(7-10-18)11-19-8-4-5-13(14(19)20)15(21)22/h4-5,8,12-13H,6-7,9-11H2,1-3H3/p+1