N-tert-butyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-tert-butyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-tert-butyl-1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-tert-butyl-1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-carboxamide Formula: C17H25ClFN2O+ MolecularWeight: 327.844603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC[NH+](CC1)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(C)(C)NC(=O)C1CC[NH+](CC1)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C17H24ClFN2O/c1-17(2,3)20-16(22)12-7-9-21(10-8-12)11-13-14(18)5-4-6-15(13)19/h4-6,12H,7-11H2,1-3H3,(H,20,22)/p+1