1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(3,3-diphenylpropyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(3,3-diphenylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-N-(3,3-diphenylpropyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-(3,3-diphenylpropyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-(3,3-diphenylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-N-(3,3-diphenylpropyl)piperidin-1-ium-4-carboxamide Formula: C28H31ClFN2O+ MolecularWeight: 466.009943

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C28H30ClFN2O/c29-26-12-7-13-27(30)25(26)20-32-18-15-23(16-19-32)28(33)31-17-14-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,23-24H,14-20H2,(H,31,33)/p+1