ethyl 5-(morpholin-4-ium-4-ylmethyl)-2-phenyl-furan-3-carboxylate

Systemtic Name: ethyl 5-(morpholin-4-ium-4-ylmethyl)-2-phenyl-furan-3-carboxylate Openeye Name: ethyl 5-(morpholin-4-ium-4-ylmethyl)-2-phenyl-furan-3-carboxylate CAS Name: 5-(4-morpholin-4-iumylmethyl)-2-phenyl-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-(morpholin-4-ium-4-ylmethyl)-2-phenylfuran-3-carboxylate Traditional Name: 5-(morpholin-4-ium-4-ylmethyl)-2-phenyl-furan-3-carboxylic acid ethyl ester Formula: C18H22NO4+ MolecularWeight: 316.37158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1)C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1)C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H21NO4/c1-2-22-18(20)16-12-15(13-19-8-10-21-11-9-19)23-17(16)14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3/p+1