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

Systemtic Name: 2-[4-(3,3-diphenylpropanoyl)-2,6-dimethyl-phenoxy]ethyl-diethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[4-(3,3-diphenylpropanoyl)-2,6-dimethyl-phenoxy]ethyl]-diethyl-ammonium CAS Name: 2-[2,6-dimethyl-4-(1-oxo-3,3-diphenylpropyl)phenoxy]ethyl-diethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[4-(3,3-diphenylpropanoyl)-2,6-dimethylphenoxy]ethyl]-diethylazanium Traditional Name: benzyl-[2-[4-(3,3-diphenylpropanoyl)-2,6-dimethyl-phenoxy]ethyl]-diethyl-ammonium Formula: C36H42NO2+ MolecularWeight: 520.72418

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCOC1=C(C=C(C=C1C)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CC[N+](CC)(CCOC1=C(C=C(C=C1C)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C36H42NO2/c1-5-37(6-2,27-30-16-10-7-11-17-30)22-23-39-36-28(3)24-33(25-29(36)4)35(38)26-34(31-18-12-8-13-19-31)32-20-14-9-15-21-32/h7-21,24-25,34H,5-6,22-23,26-27H2,1-4H3/q+1