3-[2-(5-methyl-2-propan-2-yl-cyclohexyl)-5-[(trimethylazaniumyl)methyl]-5H-1,2-oxazol-3-yl]propanoate

Systemtic Name: 3-[2-(5-methyl-2-propan-2-yl-cyclohexyl)-5-[(trimethylazaniumyl)methyl]-5H-1,2-oxazol-3-yl]propanoate Openeye Name: 3-[2-(2-isopropyl-5-methyl-cyclohexyl)-5-[(trimethylammonio)methyl]-5H-isoxazol-3-yl]propanoate CAS Name: 3-[2-(5-methyl-2-propan-2-ylcyclohexyl)-5-[(trimethylammonio)methyl]-5H-isoxazol-3-yl]propanoate IUPAC Name: 3-[2-(5-methyl-2-propan-2-ylcyclohexyl)-5-[(trimethylazaniumyl)methyl]-5H-1,2-oxazol-3-yl]propanoate Traditional Name: 3-[2-(2-isopropyl-5-methyl-cyclohexyl)-5-[(trimethylammonio)methyl]-3-isoxazolin-3-yl]propionate Formula: C20H36N2O3 MolecularWeight: 352.51144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)N2C(=CC(O2)C[N+](C)(C)C)CCC(=O)[O-])C(C)C

Isomeric SMILES

CC1CCC(C(C1)N2C(=CC(O2)C[N+](C)(C)C)CCC(=O)[O-])C(C)C

InChI

InChI=1S/C20H36N2O3/c1-14(2)18-9-7-15(3)11-19(18)21-16(8-10-20(23)24)12-17(25-21)13-22(4,5)6/h12,14-15,17-19H,7-11,13H2,1-6H3