(3S,4S)-3-(3-fluorophenyl)-1-methyl-piperidine-4-carboxylate tetrahydrate

Systemtic Name: (3S,4S)-3-(3-fluorophenyl)-1-methyl-piperidine-4-carboxylate tetrahydrate Openeye Name: (3S,4S)-3-(3-fluorophenyl)-1-methyl-piperidine-4-carboxylate tetrahydrate CAS Name: (3S,4S)-3-(3-fluorophenyl)-1-methyl-4-piperidinecarboxylate tetrahydrate IUPAC Name: (3S,4S)-3-(3-fluorophenyl)-1-methylpiperidine-4-carboxylate tetrahydrate Traditional Name: (3S,4S)-3-(3-fluorophenyl)-1-methyl-isonipecotate tetrahydrate Formula: C13H23FNO6- MolecularWeight: 308.323223

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)C2=CC(=CC=C2)F)C(=O)[O-].O.O.O.O

Isomeric SMILES

CN1CC[C@@H]([C@H](C1)C2=CC(=CC=C2)F)C(=O)[O-].O.O.O.O

InChI

InChI=1S/C13H16FNO2.4H2O/c1-15-6-5-11(13(16)17)12(8-15)9-3-2-4-10(14)7-9;;;;/h2-4,7,11-12H,5-6,8H2,1H3,(H,16,17);4*1H2/p-1/t11-,12+;;;;/m0..../s1