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

Systemtic Name: [3-(4-bromanyl-2-phenyl-pent-4-enoyl)oxy-2,2-dimethyl-propyl]-diethyl-methyl-azanium Openeye Name: [3-(4-bromo-2-phenyl-pent-4-enoyl)oxy-2,2-dimethyl-propyl]-diethyl-methyl-ammonium CAS Name: [3-(4-bromo-1-oxo-2-phenylpent-4-enoxy)-2,2-dimethylpropyl]-diethyl-methylammonium IUPAC Name: [3-(4-bromo-2-phenylpent-4-enoyl)oxy-2,2-dimethylpropyl]-diethyl-methylazanium Traditional Name: [3-(4-bromo-2-phenyl-pent-4-enoyl)oxy-2,2-dimethyl-propyl]-diethyl-methyl-ammonium Formula: C21H33BrNO2+ MolecularWeight: 411.39622

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H33BrNO2/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/h9-13,19H,3,7-8,14-16H2,1-2,4-6H3/q+1