(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium

Systemtic Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium Openeye Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium CAS Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium Traditional Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium Formula: C20H23FNO3+ MolecularWeight: 344.399923

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C(C1)COC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CC[C@H]([C@@H](C1)COC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H22FNO3/c1-22-9-8-18(14-2-4-16(21)5-3-14)15(11-22)12-23-17-6-7-19-20(10-17)25-13-24-19/h2-7,10,15,18H,8-9,11-13H2,1H3/p+1/t15-,18-/m0/s1