3-(2-bromanyl-4-fluoranyl-phenoxy)propyl-propan-2-yl-azanium

Systemtic Name: 3-(2-bromanyl-4-fluoranyl-phenoxy)propyl-propan-2-yl-azanium Openeye Name: 3-(2-bromo-4-fluoro-phenoxy)propyl-isopropyl-ammonium CAS Name: 3-(2-bromo-4-fluorophenoxy)propyl-propan-2-ylammonium IUPAC Name: 3-(2-bromo-4-fluorophenoxy)propyl-propan-2-ylazanium Traditional Name: 3-(2-bromo-4-fluoro-phenoxy)propyl-isopropyl-ammonium Formula: C12H18BrFNO+ MolecularWeight: 291.179823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrFNO/c1-9(2)15-6-3-7-16-12-5-4-10(14)8-11(12)13/h4-5,8-9,15H,3,6-7H2,1-2H3/p+1