3-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)propyl-(2-dimethylaminoethyl)azanium

Systemtic Name: 3-(4-bromanyl-2-chloranyl-6-methyl-phenoxy)propyl-(2-dimethylaminoethyl)azanium Openeye Name: 3-(4-bromo-2-chloro-6-methyl-phenoxy)propyl-(2-dimethylaminoethyl)ammonium CAS Name: 3-(4-bromo-2-chloro-6-methylphenoxy)propyl-(2-dimethylaminoethyl)ammonium IUPAC Name: 3-(4-bromo-2-chloro-6-methylphenoxy)propyl-(2-dimethylaminoethyl)azanium Traditional Name: 3-(4-bromo-2-chloro-6-methyl-phenoxy)propyl-(2-dimethylaminoethyl)ammonium Formula: C14H23BrClN2O+ MolecularWeight: 350.70222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCC[NH2+]CCN(C)C)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCCC[NH2+]CCN(C)C)Cl)Br

InChI

InChI=1S/C14H22BrClN2O/c1-11-9-12(15)10-13(16)14(11)19-8-4-5-17-6-7-18(2)3/h9-10,17H,4-8H2,1-3H3/p+1