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

Systemtic Name: 4-[[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[5-(2,4-dichlorophenyl)-2-furyl]methylammonio]methyl]benzoate CAS Name: 4-[[[5-(2,4-dichlorophenyl)-2-furanyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[5-(2,4-dichlorophenyl)furan-2-yl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[5-(2,4-dichlorophenyl)-2-furyl]methylammonio]methyl]benzoate Formula: C19H15Cl2NO3 MolecularWeight: 376.2333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15Cl2NO3/c20-14-5-7-16(17(21)9-14)18-8-6-15(25-18)11-22-10-12-1-3-13(4-2-12)19(23)24/h1-9,22H,10-11H2,(H,23,24)