2-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)ethyl-(3-methoxypropyl)azanium

Systemtic Name: 2-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)ethyl-(3-methoxypropyl)azanium Openeye Name: 2-(2-bromo-6-chloro-4-methyl-phenoxy)ethyl-(3-methoxypropyl)ammonium CAS Name: 2-(2-bromo-6-chloro-4-methylphenoxy)ethyl-(3-methoxypropyl)ammonium IUPAC Name: 2-(2-bromo-6-chloro-4-methylphenoxy)ethyl-(3-methoxypropyl)azanium Traditional Name: 2-(2-bromo-6-chloro-4-methyl-phenoxy)ethyl-(3-methoxypropyl)ammonium Formula: C13H20BrClNO2+ MolecularWeight: 337.6604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC[NH2+]CCCOC)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC[NH2+]CCCOC)Cl

InChI

InChI=1S/C13H19BrClNO2/c1-10-8-11(14)13(12(15)9-10)18-7-5-16-4-3-6-17-2/h8-9,16H,3-7H2,1-2H3/p+1