5-methyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: 5-methyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: 5-methyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-methyl-4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-furancarboxylate IUPAC Name: 5-methyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-methyl-4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-furoate Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(OC(=C2)C(=O)[O-])C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(OC(=C2)C(=O)[O-])C

InChI

InChI=1S/C13H19NO3/c1-9-4-3-5-14(7-9)8-11-6-12(13(15)16)17-10(11)2/h6,9H,3-5,7-8H2,1-2H3,(H,15,16)/t9-/m0/s1