[3-(4-bromanyl-2-phenyl-pent-4-enoyl)oxy-2,2-dimethyl-propyl]-diethyl-methyl-azanium; methyl sulfate

Systemtic Name: [3-(4-bromanyl-2-phenyl-pent-4-enoyl)oxy-2,2-dimethyl-propyl]-diethyl-methyl-azanium; methyl sulfate Openeye Name: [3-(4-bromo-2-phenyl-pent-4-enoyl)oxy-2,2-dimethyl-propyl]-diethyl-methyl-ammonium; methyl sulfate CAS Name: [3-(4-bromo-1-oxo-2-phenylpent-4-enoxy)-2,2-dimethylpropyl]-diethyl-methylammonium; methyl sulfate IUPAC Name: [3-(4-bromo-2-phenylpent-4-enoyl)oxy-2,2-dimethylpropyl]-diethyl-methylazanium; methyl sulfate Traditional Name: [3-(4-bromo-2-phenyl-pent-4-enoyl)oxy-2,2-dimethyl-propyl]-diethyl-methyl-ammonium; methyl sulfate Formula: C22H36BrNO6S MolecularWeight: 522.49334

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CC(C)(C)COC(=O)C(CC(=C)Br)C1=CC=CC=C1.COS(=O)(=O)[O-]

Isomeric SMILES

CC[N+](C)(CC)CC(C)(C)COC(=O)C(CC(=C)Br)C1=CC=CC=C1.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H33BrNO2.CH4O4S/c1-7-23(6,8-2)15-21(4,5)16-25-20(24)19(14-17(3)22)18-12-10-9-11-13-18;1-5-6(2,3)4/h9-13,19H,3,7-8,14-16H2,1-2,4-6H3;1H3,(H,2,3,4)/q+1;/p-1