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

Systemtic Name: 5-[(4-ethylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Openeye Name: 5-[(4-ethylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(4-ethyl-1-piperazin-1-iumyl)methyl]-2-furancarboxylate IUPAC Name: 5-[(4-ethylpiperazin-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-furoate Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C12H18N2O3/c1-2-13-5-7-14(8-6-13)9-10-3-4-11(17-10)12(15)16/h3-4H,2,5-9H2,1H3,(H,15,16)