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

Systemtic Name: methyl 5-[(1-methylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylate Openeye Name: methyl 5-[(1-methylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(1-methyl-1-piperidin-1-iumyl)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(1-methylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(1-methylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C13H20NO3+ MolecularWeight: 238.3028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC2=CC=C(O2)C(=O)OC

Isomeric SMILES

C[N+]1(CCCCC1)CC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C13H20NO3/c1-14(8-4-3-5-9-14)10-11-6-7-12(17-11)13(15)16-2/h6-7H,3-5,8-10H2,1-2H3/q+1