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

Systemtic Name: 4-[(4-ethylpiperazin-1-ium-1-yl)methyl]-5-methyl-furan-2-carboxylate Openeye Name: 4-[(4-ethylpiperazin-1-ium-1-yl)methyl]-5-methyl-furan-2-carboxylate CAS Name: 4-[(4-ethyl-1-piperazin-1-iumyl)methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-[(4-ethylpiperazin-1-ium-1-yl)methyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[(4-ethylpiperazin-1-ium-1-yl)methyl]-5-methyl-2-furoate Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(OC(=C2)C(=O)[O-])C

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(OC(=C2)C(=O)[O-])C

InChI

InChI=1S/C13H20N2O3/c1-3-14-4-6-15(7-5-14)9-11-8-12(13(16)17)18-10(11)2/h8H,3-7,9H2,1-2H3,(H,16,17)