3-(2,2-diphenylethanoyloxy)propyl-diethyl-methyl-azanium; methyl sulfate

Systemtic Name: 3-(2,2-diphenylethanoyloxy)propyl-diethyl-methyl-azanium; methyl sulfate Openeye Name: 3-(2,2-diphenylacetyl)oxypropyl-diethyl-methyl-ammonium; methyl sulfate CAS Name: diethyl-methyl-[3-(1-oxo-2,2-diphenylethoxy)propyl]ammonium; methyl sulfate IUPAC Name: 3-(2,2-diphenylacetyl)oxypropyl-diethyl-methylazanium; methyl sulfate Traditional Name: 3-(2,2-diphenylacetyl)oxypropyl-diethyl-methyl-ammonium; methyl sulfate Formula: C23H33NO6S MolecularWeight: 451.57622

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

CC[N+](C)(CC)CCCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H30NO2.CH4O4S/c1-4-23(3,5-2)17-12-18-25-22(24)21(19-13-8-6-9-14-19)20-15-10-7-11-16-20;1-5-6(2,3)4/h6-11,13-16,21H,4-5,12,17-18H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1