N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-N-piperonyl-piperidin-1-ium-4-carboxamide Formula: C21H23ClFN2O3+ MolecularWeight: 405.870323

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H22ClFN2O3/c22-17-2-1-3-18(23)16(17)12-25-8-6-15(7-9-25)21(26)24-11-14-4-5-19-20(10-14)28-13-27-19/h1-5,10,15H,6-9,11-13H2,(H,24,26)/p+1