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

Systemtic Name: phenyl (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium-1-carboxylate Openeye Name: phenyl (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium-1-carboxylate CAS Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-methyl-1-piperidin-1-iumcarboxylic acid phenyl ester IUPAC Name: phenyl (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-1-carboxylate Traditional Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium-1-carboxylic acid phenyl ester Formula: C27H27FNO5+ MolecularWeight: 464.505383

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C(C1)COC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C[N+]1(CC[C@H]([C@@H](C1)COC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C27H27FNO5/c1-29(27(30)34-22-5-3-2-4-6-22)14-13-24(19-7-9-21(28)10-8-19)20(16-29)17-31-23-11-12-25-26(15-23)33-18-32-25/h2-12,15,20,24H,13-14,16-18H2,1H3/q+1/t20-,24-,29?/m0/s1