2-[1-tert-butyl-3-(3-methoxy-3-oxidanylidene-propyl)-4-oxidanylidene-piperidin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[1-tert-butyl-3-(3-methoxy-3-oxidanylidene-propyl)-4-oxidanylidene-piperidin-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-tert-butyl-3-(3-methoxy-3-oxo-propyl)-4-oxo-piperidin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-tert-butyl-3-(3-methoxy-3-oxopropyl)-4-oxo-1-piperidin-1-iumyl]propanoic acid IUPAC Name: 2-[1-tert-butyl-3-(3-methoxy-3-oxopropyl)-4-oxopiperidin-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-tert-butyl-4-keto-3-(3-keto-3-methoxy-propyl)piperidin-1-ium-1-yl]propionic acid Formula: C16H28NO5+ MolecularWeight: 314.39722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO5/c1-11(15(20)21)17(16(2,3)4)9-8-13(18)12(10-17)6-7-14(19)22-5/h11-12H,6-10H2,1-5H3/p+1