5-[(2-piperidin-1-ium-1-ylethylamino)methyl]furan-2-carboxylate

Systemtic Name: 5-[(2-piperidin-1-ium-1-ylethylamino)methyl]furan-2-carboxylate Openeye Name: 5-[(2-piperidin-1-ium-1-ylethylamino)methyl]furan-2-carboxylate CAS Name: 5-[[2-(1-piperidin-1-iumyl)ethylamino]methyl]-2-furancarboxylate IUPAC Name: 5-[(2-piperidin-1-ium-1-ylethylamino)methyl]furan-2-carboxylate Traditional Name: 5-[(2-piperidin-1-ium-1-ylethylamino)methyl]-2-furoate Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNCC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCNCC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C13H20N2O3/c16-13(17)12-5-4-11(18-12)10-14-6-9-15-7-2-1-3-8-15/h4-5,14H,1-3,6-10H2,(H,16,17)