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

Systemtic Name: tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-(3-oxidanylidenepropyl)-3-pyridin-2-yl-1,3-oxazolidin-3-ium-3-carboxylate Openeye Name: tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-(3-oxopropyl)-3-(2-pyridyl)oxazolidin-3-ium-3-carboxylate CAS Name: 4-(cyclohexylmethyl)-2,2-dimethyl-5-(3-oxopropyl)-3-(2-pyridinyl)-3-oxazolidin-3-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-(3-oxopropyl)-3-pyridin-2-yl-1,3-oxazolidin-3-ium-3-carboxylate Traditional Name: 4-(cyclohexylmethyl)-5-(3-ketopropyl)-2,2-dimethyl-3-(2-pyridyl)oxazolidin-3-ium-3-carboxylic acid tert-butyl ester Formula: C25H39N2O4+ MolecularWeight: 431.58816

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Descriptors Computed from Structure

Canonical SMILES:

CC1([N+](C(C(O1)CCC=O)CC2CCCCC2)(C3=CC=CC=N3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1([N+](C(C(O1)CCC=O)CC2CCCCC2)(C3=CC=CC=N3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C25H39N2O4/c1-24(2,3)31-23(29)27(22-15-9-10-16-26-22)20(18-19-12-7-6-8-13-19)21(14-11-17-28)30-25(27,4)5/h9-10,15-17,19-21H,6-8,11-14,18H2,1-5H3/q+1