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

Systemtic Name: tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-3-propan-2-yl-5-(3-pyridin-2-ylpropyl)-1,3-oxazolidin-3-ium-3-carboxylate Openeye Name: tert-butyl 4-(cyclohexylmethyl)-3-isopropyl-2,2-dimethyl-5-[3-(2-pyridyl)propyl]oxazolidin-3-ium-3-carboxylate CAS Name: 4-(cyclohexylmethyl)-2,2-dimethyl-3-propan-2-yl-5-[3-(2-pyridinyl)propyl]-3-oxazolidin-3-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-3-propan-2-yl-5-(3-pyridin-2-ylpropyl)-1,3-oxazolidin-3-ium-3-carboxylate Traditional Name: 4-(cyclohexylmethyl)-3-isopropyl-2,2-dimethyl-5-[3-(2-pyridyl)propyl]oxazolidin-3-ium-3-carboxylic acid tert-butyl ester Formula: C28H47N2O3+ MolecularWeight: 459.68438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(C(C(OC1(C)C)CCCC2=CC=CC=N2)CC3CCCCC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[N+]1(C(C(OC1(C)C)CCCC2=CC=CC=N2)CC3CCCCC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H47N2O3/c1-21(2)30(26(31)33-27(3,4)5)24(20-22-14-9-8-10-15-22)25(32-28(30,6)7)18-13-17-23-16-11-12-19-29-23/h11-12,16,19,21-22,24-25H,8-10,13-15,17-18,20H2,1-7H3/q+1