[3-(4-butoxyphenyl)carbonyloxy-2-methyl-butyl]-triethyl-azanium iodide

Systemtic Name: [3-(4-butoxyphenyl)carbonyloxy-2-methyl-butyl]-triethyl-azanium iodide Openeye Name: [3-(4-butoxybenzoyl)oxy-2-methyl-butyl]-triethyl-ammonium iodide CAS Name: [3-[(4-butoxyphenyl)-oxomethoxy]-2-methylbutyl]-triethylammonium iodide IUPAC Name: [3-(4-butoxybenzoyl)oxy-2-methylbutyl]-triethylazanium iodide Traditional Name: [3-(4-butoxybenzoyl)oxy-2-methyl-butyl]-triethyl-ammonium iodide Formula: C22H38INO3 MolecularWeight: 491.44649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(C)C[N+](CC)(CC)CC.[I-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC(C)C(C)C[N+](CC)(CC)CC.[I-]

InChI

InChI=1S/C22H38NO3.HI/c1-7-11-16-25-21-14-12-20(13-15-21)22(24)26-19(6)18(5)17-23(8-2,9-3)10-4;/h12-15,18-19H,7-11,16-17H2,1-6H3;1H/q+1;/p-1