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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)CC2=CC=C(O2)C(=O)[O-]

InChI

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