3-(4-butoxyphenyl)carbonyloxybutan-2-yl-triethyl-azanium iodide

Systemtic Name: 3-(4-butoxyphenyl)carbonyloxybutan-2-yl-triethyl-azanium iodide Openeye Name: [2-(4-butoxybenzoyl)oxy-1-methyl-propyl]-triethyl-ammonium iodide CAS Name: 3-[(4-butoxyphenyl)-oxomethoxy]butan-2-yl-triethylammonium iodide IUPAC Name: 3-(4-butoxybenzoyl)oxybutan-2-yl-triethylazanium iodide Traditional Name: [2-(4-butoxybenzoyl)oxy-1-methyl-propyl]-triethyl-ammonium iodide Formula: C21H36INO3 MolecularWeight: 477.41991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36NO3.HI/c1-7-11-16-24-20-14-12-19(13-15-20)21(23)25-18(6)17(5)22(8-2,9-3)10-4;/h12-15,17-18H,7-11,16H2,1-6H3;1H/q+1;/p-1