(5-bromanylfuran-2-yl)methyl-[5-(2-chloranyl-3-methyl-6-propan-2-yl-phenoxy)pentyl]-dimethyl-azanium bromide

Systemtic Name: (5-bromanylfuran-2-yl)methyl-[5-(2-chloranyl-3-methyl-6-propan-2-yl-phenoxy)pentyl]-dimethyl-azanium bromide Openeye Name: (5-bromo-2-furyl)methyl-[5-(2-chloro-6-isopropyl-3-methyl-phenoxy)pentyl]-dimethyl-ammonium bromide CAS Name: (5-bromo-2-furanyl)methyl-[5-(2-chloro-3-methyl-6-propan-2-ylphenoxy)pentyl]-dimethylammonium bromide IUPAC Name: (5-bromofuran-2-yl)methyl-[5-(2-chloro-3-methyl-6-propan-2-ylphenoxy)pentyl]-dimethylazanium bromide Traditional Name: (5-bromo-2-furyl)methyl-[5-(2-chloro-6-isopropyl-3-methyl-phenoxy)pentyl]-dimethyl-ammonium bromide Formula: C22H32Br2ClNO2 MolecularWeight: 537.75598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(C)C)OCCCCC[N+](C)(C)CC2=CC=C(O2)Br)Cl.[Br-]

Isomeric SMILES

CC1=C(C(=C(C=C1)C(C)C)OCCCCC[N+](C)(C)CC2=CC=C(O2)Br)Cl.[Br-]

InChI

InChI=1S/C22H32BrClNO2.BrH/c1-16(2)19-11-9-17(3)21(24)22(19)26-14-8-6-7-13-25(4,5)15-18-10-12-20(23)27-18;/h9-12,16H,6-8,13-15H2,1-5H3;1H/q+1;/p-1