5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-2-furancarboxylate IUPAC Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-furoate Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=C(O3)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=C(O3)C(=O)[O-]

InChI

InChI=1S/C18H21NO3/c20-18(21)17-7-6-16(22-17)13-19-10-8-15(9-11-19)12-14-4-2-1-3-5-14/h1-7,15H,8-13H2,(H,20,21)