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

Systemtic Name: [3-(2-acetyloxy-5-methyl-phenyl)-3-phenyl-propyl]-methyl-di(propan-2-yl)azanium iodide Openeye Name: [3-(2-acetoxy-5-methyl-phenyl)-3-phenyl-propyl]-diisopropyl-methyl-ammonium iodide CAS Name: [3-(2-acetyloxy-5-methylphenyl)-3-phenylpropyl]-methyl-di(propan-2-yl)ammonium iodide IUPAC Name: [3-(2-acetyloxy-5-methylphenyl)-3-phenylpropyl]-methyl-di(propan-2-yl)azanium iodide Traditional Name: [3-(2-acetoxy-5-methyl-phenyl)-3-phenyl-propyl]-diisopropyl-methyl-ammonium iodide Formula: C25H36INO2 MolecularWeight: 509.46331

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H36NO2.HI/c1-18(2)26(7,19(3)4)16-15-23(22-11-9-8-10-12-22)24-17-20(5)13-14-25(24)28-21(6)27;/h8-14,17-19,23H,15-16H2,1-7H3;1H/q+1;/p-1