1,3-benzodioxol-5-yl-[(3S)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-3-yl]methanone Formula: C20H20ClFNO3+ MolecularWeight: 376.829103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C=CC=C2Cl)F)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(C=CC=C2Cl)F)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19ClFNO3/c21-16-4-1-5-17(22)15(16)11-23-8-2-3-14(10-23)20(24)13-6-7-18-19(9-13)26-12-25-18/h1,4-7,9,14H,2-3,8,10-12H2/p+1/t14-/m0/s1