4-(morpholin-4-ium-4-ylmethyl)-5-propyl-furan-2-carboxylate

Systemtic Name: 4-(morpholin-4-ium-4-ylmethyl)-5-propyl-furan-2-carboxylate Openeye Name: 4-(morpholin-4-ium-4-ylmethyl)-5-propyl-furan-2-carboxylate CAS Name: 4-(4-morpholin-4-iumylmethyl)-5-propyl-2-furancarboxylate IUPAC Name: 4-(morpholin-4-ium-4-ylmethyl)-5-propylfuran-2-carboxylate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)-5-propyl-2-furoate Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCOCC2

Isomeric SMILES

CCCC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCOCC2

InChI

InChI=1S/C13H19NO4/c1-2-3-11-10(8-12(18-11)13(15)16)9-14-4-6-17-7-5-14/h8H,2-7,9H2,1H3,(H,15,16)