(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(4-fluorophenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(4-fluorophenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(4-fluorophenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(4-fluorophenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-(4-fluorophenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-3-yl]-(4-fluorophenyl)amine Formula: C20H24FN2O2+ MolecularWeight: 343.415163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2)OCCO3)NC4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2)OCCO3)NC4=CC=C(C=C4)F

InChI

InChI=1S/C20H23FN2O2/c21-16-4-6-17(7-5-16)22-18-2-1-9-23(14-18)13-15-3-8-19-20(12-15)25-11-10-24-19/h3-8,12,18,22H,1-2,9-11,13-14H2/p+1/t18-/m0/s1