2-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)azaniumyl]ethanoate

Systemtic Name: 2-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)azaniumyl]ethanoate Openeye Name: 2-[(4-chlorophenyl)methyl-(2-furylmethyl)ammonio]acetate CAS Name: 2-[(4-chlorophenyl)methyl-(2-furanylmethyl)ammonio]acetate IUPAC Name: 2-[(4-chlorophenyl)methyl-(furan-2-ylmethyl)azaniumyl]acetate Traditional Name: 2-[(4-chlorobenzyl)-(2-furfuryl)ammonio]acetate Formula: C14H14ClNO3 MolecularWeight: 279.71886

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C[NH+](CC2=CC=C(C=C2)Cl)CC(=O)[O-]

Isomeric SMILES

C1=COC(=C1)C[NH+](CC2=CC=C(C=C2)Cl)CC(=O)[O-]

InChI

InChI=1S/C14H14ClNO3/c15-12-5-3-11(4-6-12)8-16(10-14(17)18)9-13-2-1-7-19-13/h1-7H,8-10H2,(H,17,18)