1,3-benzodioxol-5-yl (3S,4S)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium-3-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl (3S,4S)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium-3-carboxylate Openeye Name: 1,3-benzodioxol-5-yl (3S,4S)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium-3-carboxylate CAS Name: (3S,4S)-4-(4-fluorophenyl)-1-methyl-3-piperidin-1-iumcarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (3S,4S)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-carboxylate Traditional Name: (3S,4S)-4-(4-fluorophenyl)-1-methyl-piperidin-1-ium-3-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C20H21FNO4+ MolecularWeight: 358.383443

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C(C1)C(=O)OC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CC[C@@H]([C@@H](C1)C(=O)OC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FNO4/c1-22-9-8-16(13-2-4-14(21)5-3-13)17(11-22)20(23)26-15-6-7-18-19(10-15)25-12-24-18/h2-7,10,16-17H,8-9,11-12H2,1H3/p+1/t16-,17-/m1/s1