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

Systemtic Name: 3-(4-bromanyl-2-chloranyl-phenoxy)propyl-[(2R)-butan-2-yl]azanium Openeye Name: 3-(4-bromo-2-chloro-phenoxy)propyl-[(1R)-1-methylpropyl]ammonium CAS Name: 3-(4-bromo-2-chlorophenoxy)propyl-[(2R)-butan-2-yl]ammonium IUPAC Name: 3-(4-bromo-2-chlorophenoxy)propyl-[(2R)-butan-2-yl]azanium Traditional Name: 3-(4-bromo-2-chloro-phenoxy)propyl-[(1R)-1-methylpropyl]ammonium Formula: C13H20BrClNO+ MolecularWeight: 321.661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrClNO/c1-3-10(2)16-7-4-8-17-13-6-5-11(14)9-12(13)15/h5-6,9-10,16H,3-4,7-8H2,1-2H3/p+1/t10-/m1/s1