(5-bromanylfuran-2-yl)methyl-[4-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)butyl]-dimethyl-azanium bromide

Systemtic Name: (5-bromanylfuran-2-yl)methyl-[4-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)butyl]-dimethyl-azanium bromide Openeye Name: (5-bromo-2-furyl)methyl-[4-(4-chloro-2-isopropyl-5-methyl-phenoxy)butyl]-dimethyl-ammonium bromide CAS Name: (5-bromo-2-furanyl)methyl-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-dimethylammonium bromide IUPAC Name: (5-bromofuran-2-yl)methyl-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-dimethylazanium bromide Traditional Name: (5-bromo-2-furyl)methyl-[4-(4-chloro-2-isopropyl-5-methyl-phenoxy)butyl]-dimethyl-ammonium bromide Formula: C21H30Br2ClNO2 MolecularWeight: 523.7294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCCCC[N+](C)(C)CC2=CC=C(O2)Br.[Br-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCCCC[N+](C)(C)CC2=CC=C(O2)Br.[Br-]

InChI

InChI=1S/C21H30BrClNO2.BrH/c1-15(2)18-13-19(23)16(3)12-20(18)25-11-7-6-10-24(4,5)14-17-8-9-21(22)26-17;/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3;1H/q+1;/p-1