5-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(dimethylamino)-1-piperidyl]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-(dimethylamino)-1-piperidinyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-(dimethylamino)piperidino]methyl]-2-furoic acid Formula: C13H20N2O3 MolecularWeight: 252.3095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCN(CC1)CC2=CC=C(O2)C(=O)O

Isomeric SMILES

CN(C)C1CCN(CC1)CC2=CC=C(O2)C(=O)O

InChI

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