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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(O2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-])Cl

InChI

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