tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[3-(2-propyl-1H-imidazol-3-ium-3-yl)propyl]-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[3-(2-propyl-1H-imidazol-3-ium-3-yl)propyl]-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[3-(2-propyl-1H-imidazol-3-ium-3-yl)propyl]oxazolidine-3-carboxylate CAS Name: 4-(cyclohexylmethyl)-2,2-dimethyl-5-[3-(2-propyl-1H-imidazol-3-ium-3-yl)propyl]-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(cyclohexylmethyl)-2,2-dimethyl-5-[3-(2-propyl-1H-imidazol-3-ium-3-yl)propyl]-1,3-oxazolidine-3-carboxylate Traditional Name: 4-(cyclohexylmethyl)-2,2-dimethyl-5-[3-(2-propyl-1H-imidazol-3-ium-3-yl)propyl]oxazolidine-3-carboxylic acid tert-butyl ester Formula: C26H46N3O3+ MolecularWeight: 448.66174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C=CN1)CCCC2C(N(C(O2)(C)C)C(=O)OC(C)(C)C)CC3CCCCC3

Isomeric SMILES

CCCC1=[N+](C=CN1)CCCC2C(N(C(O2)(C)C)C(=O)OC(C)(C)C)CC3CCCCC3

InChI

InChI=1S/C26H45N3O3/c1-7-12-23-27-16-18-28(23)17-11-15-22-21(19-20-13-9-8-10-14-20)29(26(5,6)31-22)24(30)32-25(2,3)4/h16,18,20-22H,7-15,17,19H2,1-6H3/p+1