5-tert-butyl-2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate

Systemtic Name: 5-tert-butyl-2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate Openeye Name: 5-tert-butyl-2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate CAS Name: 5-tert-butyl-2-(4-morpholin-4-iumylmethyl)-3-furancarboxylate IUPAC Name: 5-tert-butyl-2-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate Traditional Name: 5-tert-butyl-2-(morpholin-4-ium-4-ylmethyl)-3-furoate Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(O1)C[NH+]2CCOCC2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(O1)C[NH+]2CCOCC2)C(=O)[O-]

InChI

InChI=1S/C14H21NO4/c1-14(2,3)12-8-10(13(16)17)11(19-12)9-15-4-6-18-7-5-15/h8H,4-7,9H2,1-3H3,(H,16,17)