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

Systemtic Name: 5-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: 5-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-furoate Formula: C12H18N2O4 MolecularWeight: 254.28232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)C(=O)[O-])CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)C(=O)[O-])CCO

InChI

InChI=1S/C12H18N2O4/c15-8-7-13-3-5-14(6-4-13)9-10-1-2-11(18-10)12(16)17/h1-2,15H,3-9H2,(H,16,17)