1-[(4,5-dimethylfuran-2-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4,5-dimethylfuran-2-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4,5-dimethyl-2-furyl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(4,5-dimethyl-2-furanyl)methyl]-N-(6-phenoxy-3-pyridinyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4,5-dimethylfuran-2-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(4,5-dimethyl-2-furyl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide Formula: C24H28N3O3+ MolecularWeight: 406.49742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCC(CC2)C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CCC(CC2)C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C24H27N3O3/c1-17-14-22(29-18(17)2)16-27-12-10-19(11-13-27)24(28)26-20-8-9-23(25-15-20)30-21-6-4-3-5-7-21/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,26,28)/p+1