N-[1-[2-[(2,6-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[1-[2-[(2,6-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]-3-fluoranyl-benzamide Openeye Name: N-[1-[2-(2,6-dimethoxyanilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]-3-fluoro-benzamide CAS Name: N-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]-4-piperidin-1-iumyl]-3-fluorobenzamide IUPAC Name: N-[1-[2-(2,6-dimethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-3-fluorobenzamide Traditional Name: N-[1-[2-(2,6-dimethoxyanilino)-2-keto-ethyl]piperidin-1-ium-4-yl]-3-fluoro-benzamide Formula: C22H27FN3O4+ MolecularWeight: 416.465883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC1=C(C(=CC=C1)OC)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H26FN3O4/c1-29-18-7-4-8-19(30-2)21(18)25-20(27)14-26-11-9-17(10-12-26)24-22(28)15-5-3-6-16(23)13-15/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,28)(H,25,27)/p+1