[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxidanylidene-ethyl]-(3-methoxypropyl)-(phenylmethyl)azanium

Systemtic Name: [2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxidanylidene-ethyl]-(3-methoxypropyl)-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(2R)-2-(4-fluorophenyl)thiazolidin-3-yl]-2-oxo-ethyl]-(3-methoxypropyl)ammonium CAS Name: [2-[(2R)-2-(4-fluorophenyl)-3-thiazolidinyl]-2-oxoethyl]-(3-methoxypropyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-(3-methoxypropyl)azanium Traditional Name: benzyl-[2-[(2R)-2-(4-fluorophenyl)thiazolidin-3-yl]-2-keto-ethyl]-(3-methoxypropyl)ammonium Formula: C22H28FN2O2S+ MolecularWeight: 403.533323

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[NH+](CC1=CC=CC=C1)CC(=O)N2CCSC2C3=CC=C(C=C3)F

Isomeric SMILES

COCCC[NH+](CC1=CC=CC=C1)CC(=O)N2CCS[C@@H]2C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O2S/c1-27-14-5-12-24(16-18-6-3-2-4-7-18)17-21(26)25-13-15-28-22(25)19-8-10-20(23)11-9-19/h2-4,6-11,22H,5,12-17H2,1H3/p+1/t22-/m1/s1