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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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