propan-2-yl 4-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetyl]amino]benzoic acid isopropyl ester Formula: C21H26N3O5+ MolecularWeight: 400.44824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C21H25N3O5/c1-15(2)29-21(27)16-5-7-17(8-6-16)22-19(25)14-23-9-11-24(12-10-23)20(26)18-4-3-13-28-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,25)/p+1