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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC[NH+](CC1)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CCCN1CC[NH+](CC1)CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C13H20N2O3/c1-2-5-14-6-8-15(9-7-14)10-11-3-4-12(18-11)13(16)17/h3-4H,2,5-10H2,1H3,(H,16,17)