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

Systemtic Name: 2-[4-(3,3-diphenylpropanoyl)-2,6-dimethyl-phenoxy]ethyl-diethyl-methyl-azanium; methyl sulfate Openeye Name: 2-[4-(3,3-diphenylpropanoyl)-2,6-dimethyl-phenoxy]ethyl-diethyl-methyl-ammonium; methyl sulfate CAS Name: 2-[2,6-dimethyl-4-(1-oxo-3,3-diphenylpropyl)phenoxy]ethyl-diethyl-methylammonium; methyl sulfate IUPAC Name: 2-[4-(3,3-diphenylpropanoyl)-2,6-dimethylphenoxy]ethyl-diethyl-methylazanium; methyl sulfate Traditional Name: 2-[4-(3,3-diphenylpropanoyl)-2,6-dimethyl-phenoxy]ethyl-diethyl-methyl-ammonium; methyl sulfate Formula: C31H41NO6S MolecularWeight: 555.72534

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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.COS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C30H38NO2.CH4O4S/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;1-5-6(2,3)4/h8-17,20-21,28H,6-7,18-19,22H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1