methyl 4-[(2S)-3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[(2S)-3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[(2S)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2S)-3-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2S)-3-[4-(2-furoyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C20H25N2O6+ MolecularWeight: 389.4223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6/c1-26-20(25)15-4-6-17(7-5-15)28-14-16(23)13-21-8-10-22(11-9-21)19(24)18-3-2-12-27-18/h2-7,12,16,23H,8-11,13-14H2,1H3/p+1/t16-/m0/s1