(4-bromophenyl)methyl-[3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)propyl]-dimethyl-azanium

Systemtic Name: (4-bromophenyl)methyl-[3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)propyl]-dimethyl-azanium Openeye Name: (4-bromophenyl)methyl-[3-(4-chloro-2-isopropyl-5-methyl-phenoxy)propyl]-dimethyl-ammonium CAS Name: (4-bromophenyl)methyl-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)propyl]-dimethylammonium IUPAC Name: (4-bromophenyl)methyl-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)propyl]-dimethylazanium Traditional Name: (4-bromobenzyl)-[3-(4-chloro-2-isopropyl-5-methyl-phenoxy)propyl]-dimethyl-ammonium Formula: C22H30BrClNO+ MolecularWeight: 439.8367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCCC[N+](C)(C)CC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCCC[N+](C)(C)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C22H30BrClNO/c1-16(2)20-14-21(24)17(3)13-22(20)26-12-6-11-25(4,5)15-18-7-9-19(23)10-8-18/h7-10,13-14,16H,6,11-12,15H2,1-5H3/q+1