3-(4-bromanyl-2-chloranyl-phenoxy)propyl-[(2R)-2-oxidanylpropyl]azanium

Systemtic Name: 3-(4-bromanyl-2-chloranyl-phenoxy)propyl-[(2R)-2-oxidanylpropyl]azanium Openeye Name: 3-(4-bromo-2-chloro-phenoxy)propyl-[(2R)-2-hydroxypropyl]ammonium CAS Name: 3-(4-bromo-2-chlorophenoxy)propyl-[(2R)-2-hydroxypropyl]ammonium IUPAC Name: 3-(4-bromo-2-chlorophenoxy)propyl-[(2R)-2-hydroxypropyl]azanium Traditional Name: 3-(4-bromo-2-chloro-phenoxy)propyl-[(2R)-2-hydroxypropyl]ammonium Formula: C12H18BrClNO2+ MolecularWeight: 323.63382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]CCCOC1=C(C=C(C=C1)Br)Cl)O

Isomeric SMILES

C[C@H](C[NH2+]CCCOC1=C(C=C(C=C1)Br)Cl)O

InChI

InChI=1S/C12H17BrClNO2/c1-9(16)8-15-5-2-6-17-12-4-3-10(13)7-11(12)14/h3-4,7,9,15-16H,2,5-6,8H2,1H3/p+1/t9-/m1/s1