1-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C21H24ClFN3O2+ MolecularWeight: 404.885563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H23ClFN3O2/c22-18-12-17(6-7-19(18)23)25-20(27)14-26-10-8-16(9-11-26)21(28)24-13-15-4-2-1-3-5-15/h1-7,12,16H,8-11,13-14H2,(H,24,28)(H,25,27)/p+1