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

Systemtic Name: methyl 5-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C19H23N2O4+ MolecularWeight: 343.39692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C19H22N2O4/c1-14(22)15-3-5-16(6-4-15)21-11-9-20(10-12-21)13-17-7-8-18(25-17)19(23)24-2/h3-8H,9-13H2,1-2H3/p+1