3-[5-[[2-(4-chlorophenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[[2-(4-chlorophenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[[2-(4-chlorophenyl)ethylammonio]methyl]-2-furyl]benzoate CAS Name: 3-[5-[[2-(4-chlorophenyl)ethylammonio]methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[[2-(4-chlorophenyl)ethylazaniumyl]methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[[2-(4-chlorophenyl)ethylammonio]methyl]-2-furyl]benzoate Formula: C20H18ClNO3 MolecularWeight: 355.81482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C[NH2+]CCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(O2)C[NH2+]CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClNO3/c21-17-6-4-14(5-7-17)10-11-22-13-18-8-9-19(25-18)15-2-1-3-16(12-15)20(23)24/h1-9,12,22H,10-11,13H2,(H,23,24)