tert-butyl 4-(cyclohexylmethyl)-3-fluoranyl-2,2-dimethyl-5-(3-pyridin-2-ylpropyl)-1,3-oxazolidin-3-ium-3-carboxylate

Systemtic Name: tert-butyl 4-(cyclohexylmethyl)-3-fluoranyl-2,2-dimethyl-5-(3-pyridin-2-ylpropyl)-1,3-oxazolidin-3-ium-3-carboxylate Openeye Name: tert-butyl 4-(cyclohexylmethyl)-3-fluoro-2,2-dimethyl-5-[3-(2-pyridyl)propyl]oxazolidin-3-ium-3-carboxylate CAS Name: 4-(cyclohexylmethyl)-3-fluoro-2,2-dimethyl-5-[3-(2-pyridinyl)propyl]-3-oxazolidin-3-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(cyclohexylmethyl)-3-fluoro-2,2-dimethyl-5-(3-pyridin-2-ylpropyl)-1,3-oxazolidin-3-ium-3-carboxylate Traditional Name: 4-(cyclohexylmethyl)-3-fluoro-2,2-dimethyl-5-[3-(2-pyridyl)propyl]oxazolidin-3-ium-3-carboxylic acid tert-butyl ester Formula: C25H40FN2O3+ MolecularWeight: 435.595103

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Descriptors Computed from Structure

Canonical SMILES:

CC1([N+](C(C(O1)CCCC2=CC=CC=N2)CC3CCCCC3)(C(=O)OC(C)(C)C)F)C

Isomeric SMILES

CC1([N+](C(C(O1)CCCC2=CC=CC=N2)CC3CCCCC3)(C(=O)OC(C)(C)C)F)C

InChI

InChI=1S/C25H40FN2O3/c1-24(2,3)31-23(29)28(26)21(18-19-12-7-6-8-13-19)22(30-25(28,4)5)16-11-15-20-14-9-10-17-27-20/h9-10,14,17,19,21-22H,6-8,11-13,15-16,18H2,1-5H3/q+1