[3-(2-butanoyloxy-5-methyl-phenyl)-3-phenyl-propyl]-methyl-di(propan-2-yl)azanium iodide

Systemtic Name: [3-(2-butanoyloxy-5-methyl-phenyl)-3-phenyl-propyl]-methyl-di(propan-2-yl)azanium iodide Openeye Name: [3-(2-butanoyloxy-5-methyl-phenyl)-3-phenyl-propyl]-diisopropyl-methyl-ammonium iodide CAS Name: methyl-[3-[5-methyl-2-(1-oxobutoxy)phenyl]-3-phenylpropyl]-di(propan-2-yl)ammonium iodide IUPAC Name: [3-(2-butanoyloxy-5-methylphenyl)-3-phenylpropyl]-methyl-di(propan-2-yl)azanium iodide Traditional Name: [3-(2-butyryloxy-5-methyl-phenyl)-3-phenyl-propyl]-diisopropyl-methyl-ammonium iodide Formula: C27H40INO2 MolecularWeight: 537.51647

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1)C)C(CC[N+](C)(C(C)C)C(C)C)C2=CC=CC=C2.[I-]

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1)C)C(CC[N+](C)(C(C)C)C(C)C)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C27H40NO2.HI/c1-8-12-27(29)30-26-16-15-22(6)19-25(26)24(23-13-10-9-11-14-23)17-18-28(7,20(2)3)21(4)5;/h9-11,13-16,19-21,24H,8,12,17-18H2,1-7H3;1H/q+1;/p-1