(2S)-2-(2-chloranyl-4-fluoranyl-phenoxy)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: (2S)-2-(2-chloranyl-4-fluoranyl-phenoxy)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide Openeye Name: (2S)-2-(2-chloro-4-fluoro-phenoxy)-N-(1-isopropylpiperidin-1-ium-4-yl)propanamide CAS Name: (2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propan-2-yl-4-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-2-(2-chloro-4-fluorophenoxy)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide Traditional Name: (2S)-2-(2-chloro-4-fluoro-phenoxy)-N-(1-isopropylpiperidin-1-ium-4-yl)propionamide Formula: C17H25ClFN2O2+ MolecularWeight: 343.844003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C(C)OC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1CC[NH+](CC1)C(C)C)OC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C17H24ClFN2O2/c1-11(2)21-8-6-14(7-9-21)20-17(22)12(3)23-16-5-4-13(19)10-15(16)18/h4-5,10-12,14H,6-9H2,1-3H3,(H,20,22)/p+1/t12-/m0/s1