2-[4-(3,3-diphenylpropanoyl)-2,6-dimethyl-phenoxy]ethyl-diethyl-methyl-azanium iodide

Systemtic Name: 2-[4-(3,3-diphenylpropanoyl)-2,6-dimethyl-phenoxy]ethyl-diethyl-methyl-azanium iodide Openeye Name: 2-[4-(3,3-diphenylpropanoyl)-2,6-dimethyl-phenoxy]ethyl-diethyl-methyl-ammonium iodide CAS Name: 2-[2,6-dimethyl-4-(1-oxo-3,3-diphenylpropyl)phenoxy]ethyl-diethyl-methylammonium iodide IUPAC Name: 2-[4-(3,3-diphenylpropanoyl)-2,6-dimethylphenoxy]ethyl-diethyl-methylazanium iodide Traditional Name: 2-[4-(3,3-diphenylpropanoyl)-2,6-dimethyl-phenoxy]ethyl-diethyl-methyl-ammonium iodide Formula: C30H38INO2 MolecularWeight: 571.53269

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC1=C(C=C(C=C1C)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CC[N+](C)(CC)CCOC1=C(C=C(C=C1C)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C30H38NO2.HI/c1-6-31(5,7-2)18-19-33-30-23(3)20-27(21-24(30)4)29(32)22-28(25-14-10-8-11-15-25)26-16-12-9-13-17-26;/h8-17,20-21,28H,6-7,18-19,22H2,1-5H3;1H/q+1;/p-1