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

Systemtic Name: methyl-[3-[5-methyl-2-(2-methylpropanoyloxy)phenyl]-3-phenyl-propyl]-di(propan-2-yl)azanium iodide Openeye Name: diisopropyl-methyl-[3-[5-methyl-2-(2-methylpropanoyloxy)phenyl]-3-phenyl-propyl]ammonium iodide CAS Name: methyl-[3-[5-methyl-2-(2-methyl-1-oxopropoxy)phenyl]-3-phenylpropyl]-di(propan-2-yl)ammonium iodide IUPAC Name: methyl-[3-[5-methyl-2-(2-methylpropanoyloxy)phenyl]-3-phenylpropyl]-di(propan-2-yl)azanium iodide Traditional Name: [3-(2-isobutyryloxy-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:

CC1=CC(=C(C=C1)OC(=O)C(C)C)C(CC[N+](C)(C(C)C)C(C)C)C2=CC=CC=C2.[I-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C(C)C)C(CC[N+](C)(C(C)C)C(C)C)C2=CC=CC=C2.[I-]

InChI

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