2-[6-ethoxycarbonyl-2-ethyl-9-(2-hydroxyethyloxy)-4-methoxycarbonyl-2,4,6,8,8-pentamethyl-9-oxidanylidene-nonanoyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[6-ethoxycarbonyl-2-ethyl-9-(2-hydroxyethyloxy)-4-methoxycarbonyl-2,4,6,8,8-pentamethyl-9-oxidanylidene-nonanoyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[6-ethoxycarbonyl-2-ethyl-9-(2-hydroxyethoxy)-4-methoxycarbonyl-2,4,6,8,8-pentamethyl-9-oxo-nonanoyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[6-ethoxycarbonyl-2-ethyl-9-(2-hydroxyethoxy)-4-methoxycarbonyl-2,4,6,8,8-pentamethyl-1,9-dioxononoxy]ethyl-trimethylammonium IUPAC Name: 2-[6-ethoxycarbonyl-2-ethyl-9-(2-hydroxyethoxy)-4-methoxycarbonyl-2,4,6,8,8-pentamethyl-9-oxononanoyl]oxyethyl-trimethylazanium Traditional Name: 2-[6-carbethoxy-4-carbomethoxy-2-ethyl-9-(2-hydroxyethoxy)-9-keto-2,4,6,8,8-pentamethyl-nonanoyl]oxyethyl-trimethyl-ammonium Formula: C28H52NO9+ MolecularWeight: 546.71378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)OCCO)C(=O)OCC)C(=O)OC)C(=O)OCC[N+](C)(C)C

Isomeric SMILES

CCC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)OCCO)C(=O)OCC)C(=O)OC)C(=O)OCC[N+](C)(C)C

InChI

InChI=1S/C28H52NO9/c1-12-26(5,23(33)37-16-14-29(8,9)10)19-28(7,22(32)35-11)20-27(6,24(34)36-13-2)18-25(3,4)21(31)38-17-15-30/h30H,12-20H2,1-11H3/q+1