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

Systemtic Name: 3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)propyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-(2-bromo-6-chloro-4-methyl-phenoxy)propyl]ammonium CAS Name: 3-(2-bromo-6-chloro-4-methylphenoxy)propyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]azanium Traditional Name: benzyl-[3-(2-bromo-6-chloro-4-methyl-phenoxy)propyl]ammonium Formula: C17H20BrClNO+ MolecularWeight: 369.7038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCC[NH2+]CC2=CC=CC=C2)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCC[NH2+]CC2=CC=CC=C2)Cl

InChI

InChI=1S/C17H19BrClNO/c1-13-10-15(18)17(16(19)11-13)21-9-5-8-20-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,20H,5,8-9,12H2,1H3/p+1