methyl 5-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C17H20ClN2O3+ MolecularWeight: 335.8053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H19ClN2O3/c1-22-17(21)16-6-5-15(23-16)12-19-7-9-20(10-8-19)14-4-2-3-13(18)11-14/h2-6,11H,7-10,12H2,1H3/p+1