1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-[(2S)-pentan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-[(2S)-pentan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-N-[(1S)-1-methylbutyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2S)-pentan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2S)-pentan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-N-[(1S)-1-methylbutyl]piperidin-1-ium-4-carboxamide Formula: C18H27ClFN2O+ MolecularWeight: 341.871183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClFN2O/c1-3-5-13(2)21-18(23)14-8-10-22(11-9-14)12-15-16(19)6-4-7-17(15)20/h4,6-7,13-14H,3,5,8-12H2,1-2H3,(H,21,23)/p+1/t13-/m0/s1