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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(2,6-dimethylphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-N-(2,6-dimethylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,6-dimethylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-N-(2,6-dimethylphenyl)piperidin-1-ium-4-carboxamide Formula: C21H25ClFN2O+ MolecularWeight: 375.887403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H24ClFN2O/c1-14-5-3-6-15(2)20(14)24-21(26)16-9-11-25(12-10-16)13-17-18(22)7-4-8-19(17)23/h3-8,16H,9-13H2,1-2H3,(H,24,26)/p+1