1-morpholin-4-ium-4-ylpropan-2-yl furan-2-carboxylate chloride

Systemtic Name: 1-morpholin-4-ium-4-ylpropan-2-yl furan-2-carboxylate chloride Openeye Name: (1-methyl-2-morpholin-4-ium-4-yl-ethyl) furan-2-carboxylate chloride CAS Name: 2-furancarboxylic acid 1-(4-morpholin-4-iumyl)propan-2-yl ester chloride IUPAC Name: 1-morpholin-4-ium-4-ylpropan-2-yl furan-2-carboxylate chloride Traditional Name: furan-2-carboxylic acid (1-methyl-2-morpholin-4-ium-4-yl-ethyl) ester chloride Formula: C12H18ClNO4 MolecularWeight: 275.72862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCOCC1)OC(=O)C2=CC=CO2.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCOCC1)OC(=O)C2=CC=CO2.[Cl-]

InChI

InChI=1S/C12H17NO4.ClH/c1-10(9-13-4-7-15-8-5-13)17-12(14)11-3-2-6-16-11;/h2-3,6,10H,4-5,7-9H2,1H3;1H