4-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[1-[(E)-3-(2-furyl)allyl]piperidin-1-ium-4-yl]oxy-N-(2-pyridylmethyl)benzamide CAS Name: 4-[[1-[(E)-3-(2-furanyl)prop-2-enyl]-4-piperidin-1-iumyl]oxy]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-[1-[(E)-3-(2-furyl)allyl]piperidin-1-ium-4-yl]oxy-N-(2-pyridylmethyl)benzamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)CC=CC4=CC=CO4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)C/C=C/C4=CC=CO4

InChI

InChI=1S/C25H27N3O3/c29-25(27-19-21-5-1-2-14-26-21)20-8-10-23(11-9-20)31-24-12-16-28(17-13-24)15-3-6-22-7-4-18-30-22/h1-11,14,18,24H,12-13,15-17,19H2,(H,27,29)/p+1/b6-3+