3-(2-bromanyl-4-chloranyl-6-methyl-phenoxy)propyl-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: 3-(2-bromanyl-4-chloranyl-6-methyl-phenoxy)propyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: 3-(2-bromo-4-chloro-6-methyl-phenoxy)propyl-[(2S)-2-hydroxypropyl]ammonium CAS Name: 3-(2-bromo-4-chloro-6-methylphenoxy)propyl-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: 3-(2-bromo-4-chloro-6-methylphenoxy)propyl-[(2S)-2-hydroxypropyl]azanium Traditional Name: 3-(2-bromo-4-chloro-6-methyl-phenoxy)propyl-[(2S)-2-hydroxypropyl]ammonium Formula: C13H20BrClNO2+ MolecularWeight: 337.6604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=C1OCCC[NH2+]C[C@H](C)O)Br)Cl

InChI

InChI=1S/C13H19BrClNO2/c1-9-6-11(15)7-12(14)13(9)18-5-3-4-16-8-10(2)17/h6-7,10,16-17H,3-5,8H2,1-2H3/p+1/t10-/m0/s1