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

Systemtic Name: 5-methyl-4-[[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methyl]furan-2-carboxylate Openeye Name: 5-methyl-4-[[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methyl]furan-2-carboxylate CAS Name: 5-methyl-4-[[methyl-(1-methyl-4-piperidin-1-iumyl)amino]methyl]-2-furancarboxylate IUPAC Name: 5-methyl-4-[[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methyl]furan-2-carboxylate Traditional Name: 5-methyl-4-[[methyl-(1-methylpiperidin-1-ium-4-yl)amino]methyl]-2-furoate Formula: C14H22N2O3 MolecularWeight: 266.33608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])CN(C)C2CC[NH+](CC2)C

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])CN(C)C2CC[NH+](CC2)C

InChI

InChI=1S/C14H22N2O3/c1-10-11(8-13(19-10)14(17)18)9-16(3)12-4-6-15(2)7-5-12/h8,12H,4-7,9H2,1-3H3,(H,17,18)