5-[[ethyl-(phenylmethyl)azaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[ethyl-(phenylmethyl)azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[benzyl(ethyl)ammonio]methyl]furan-2-carboxylate CAS Name: 5-[[ethyl-(phenylmethyl)ammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[benzyl(ethyl)azaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[benzyl(ethyl)ammonio]methyl]-2-furoate Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C15H17NO3/c1-2-16(10-12-6-4-3-5-7-12)11-13-8-9-14(19-13)15(17)18/h3-9H,2,10-11H2,1H3,(H,17,18)