diethyl-methyl-[2-[2-methyl-4-(1-oxidanylidene-1,2-diphenyl-butan-2-yl)phenoxy]ethyl]azanium

Systemtic Name: diethyl-methyl-[2-[2-methyl-4-(1-oxidanylidene-1,2-diphenyl-butan-2-yl)phenoxy]ethyl]azanium Openeye Name: 2-[4-(1-benzoyl-1-phenyl-propyl)-2-methyl-phenoxy]ethyl-diethyl-methyl-ammonium CAS Name: diethyl-methyl-[2-[2-methyl-4-(1-oxo-1,2-diphenylbutan-2-yl)phenoxy]ethyl]ammonium IUPAC Name: diethyl-methyl-[2-[2-methyl-4-(1-oxo-1,2-diphenylbutan-2-yl)phenoxy]ethyl]azanium Traditional Name: 2-[4-(1-benzoyl-1-phenyl-propyl)-2-methyl-phenoxy]ethyl-diethyl-methyl-ammonium Formula: C30H38NO2+ MolecularWeight: 444.62822

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C2=CC(=C(C=C2)OCC[N+](C)(CC)CC)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C1=CC=CC=C1)(C2=CC(=C(C=C2)OCC[N+](C)(CC)CC)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H38NO2/c1-6-30(26-17-13-10-14-18-26,29(32)25-15-11-9-12-16-25)27-19-20-28(24(4)23-27)33-22-21-31(5,7-2)8-3/h9-20,23H,6-8,21-22H2,1-5H3/q+1