[9-[(6Z)-3-acetyloxy-6-(2-acetyloxyethylidene)-2-methyl-oxepan-2-yl]-2,6-dimethyl-non-2-en-5-yl]-trimethyl-azanium iodide

Systemtic Name: [9-[(6Z)-3-acetyloxy-6-(2-acetyloxyethylidene)-2-methyl-oxepan-2-yl]-2,6-dimethyl-non-2-en-5-yl]-trimethyl-azanium iodide Openeye Name: [1-[4-[(6Z)-3-acetoxy-6-(2-acetoxyethylidene)-2-methyl-oxepan-2-yl]-1-methyl-butyl]-4-methyl-pent-3-enyl]-trimethyl-ammonium iodide CAS Name: [9-[(6Z)-3-acetyloxy-6-(2-acetyloxyethylidene)-2-methyl-2-oxepanyl]-2,6-dimethylnon-2-en-5-yl]-trimethylammonium iodide IUPAC Name: [9-[(6Z)-3-acetyloxy-6-(2-acetyloxyethylidene)-2-methyloxepan-2-yl]-2,6-dimethylnon-2-en-5-yl]-trimethylazanium iodide Traditional Name: [1-[4-[(6Z)-3-acetoxy-6-(2-acetoxyethylidene)-2-methyl-oxepan-2-yl]-1-methyl-butyl]-4-methyl-pent-3-enyl]-trimethyl-ammonium iodide Formula: C27H48INO5 MolecularWeight: 593.57819

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1(C(CCC(=CCOC(=O)C)CO1)OC(=O)C)C)C(CC=C(C)C)[N+](C)(C)C.[I-]

Isomeric SMILES

CC(CCCC1(C(CC/C(=C/COC(=O)C)/CO1)OC(=O)C)C)C(CC=C(C)C)[N+](C)(C)C.[I-]

InChI

InChI=1S/C27H48NO5.HI/c1-20(2)12-14-25(28(7,8)9)21(3)11-10-17-27(6)26(33-23(5)30)15-13-24(19-32-27)16-18-31-22(4)29;/h12,16,21,25-26H,10-11,13-15,17-19H2,1-9H3;1H/q+1;/p-1/b24-16-;