4-[bis(fluoranyl)methoxy]-3-ethoxy-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide

Systemtic Name: 4-[bis(fluoranyl)methoxy]-3-ethoxy-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: 4-(difluoromethoxy)-3-ethoxy-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide CAS Name: 4-(difluoromethoxy)-3-ethoxy-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 4-(difluoromethoxy)-3-ethoxy-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: 4-(difluoromethoxy)-3-ethoxy-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]benzamide Formula: C20H24F2N3O3+ MolecularWeight: 392.419666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3)OC(F)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)NCC2=CC(=[NH+]C=C2)N3CCCC3)OC(F)F

InChI

InChI=1S/C20H23F2N3O3/c1-2-27-17-12-15(5-6-16(17)28-20(21)22)19(26)24-13-14-7-8-23-18(11-14)25-9-3-4-10-25/h5-8,11-12,20H,2-4,9-10,13H2,1H3,(H,24,26)/p+1