[3-carboxy-6-methyl-2-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-octyl]-trimethyl-azanium

Systemtic Name: [3-carboxy-6-methyl-2-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-octyl]-trimethyl-azanium Openeye Name: [2-tert-butoxy-5-(tert-butoxycarbonylamino)-3-carboxy-6-methyl-4-oxo-octyl]-trimethyl-ammonium CAS Name: [3-carboxy-6-methyl-2-[(2-methylpropan-2-yl)oxy]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxooctyl]-trimethylammonium IUPAC Name: [3-carboxy-6-methyl-2-[(2-methylpropan-2-yl)oxy]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxooctyl]-trimethylazanium Traditional Name: [2-tert-butoxy-5-(tert-butoxycarbonylamino)-3-carboxy-4-keto-6-methyl-octyl]-trimethyl-ammonium Formula: C22H43N2O6+ MolecularWeight: 431.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C(C(C[N+](C)(C)C)OC(C)(C)C)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C(C(=O)C(C(C[N+](C)(C)C)OC(C)(C)C)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H42N2O6/c1-12-14(2)17(23-20(28)30-22(6,7)8)18(25)16(19(26)27)15(13-24(9,10)11)29-21(3,4)5/h14-17H,12-13H2,1-11H3,(H-,23,26,27,28)/p+1