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

Systemtic Name: 1-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C19H28ClFN4O2+2 MolecularWeight: 398.902623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)N

InChI

InChI=1S/C19H26ClFN4O2/c20-15-12-14(4-5-16(15)21)23-17(26)13-24-10-6-19(7-11-24,18(22)27)25-8-2-1-3-9-25/h4-5,12H,1-3,6-11,13H2,(H2,22,27)(H,23,26)/p+2