4-[[[5-(4-chlorophenyl)furan-2-yl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[5-(4-chlorophenyl)furan-2-yl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[5-(4-chlorophenyl)-2-furyl]methylammonio]methyl]benzoate CAS Name: 4-[[[5-(4-chlorophenyl)-2-furanyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[5-(4-chlorophenyl)furan-2-yl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[5-(4-chlorophenyl)-2-furyl]methylammonio]methyl]benzoate Formula: C19H16ClNO3 MolecularWeight: 341.78824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CC2=CC=C(O2)C3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]CC2=CC=C(O2)C3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C19H16ClNO3/c20-16-7-5-14(6-8-16)18-10-9-17(24-18)12-21-11-13-1-3-15(4-2-13)19(22)23/h1-10,21H,11-12H2,(H,22,23)