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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-N-[(1S)-2-methoxy-1-methyl-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-N-[(1S)-2-methoxy-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C17H25ClFN2O2+ MolecularWeight: 343.844003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClFN2O2/c1-12(11-23-2)20-17(22)13-6-8-21(9-7-13)10-14-15(18)4-3-5-16(14)19/h3-5,12-13H,6-11H2,1-2H3,(H,20,22)/p+1/t12-/m0/s1