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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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