3-(4-bromanyl-2-chloranyl-phenoxy)propyl-tert-butyl-azanium

Systemtic Name: 3-(4-bromanyl-2-chloranyl-phenoxy)propyl-tert-butyl-azanium Openeye Name: 3-(4-bromo-2-chloro-phenoxy)propyl-tert-butyl-ammonium CAS Name: 3-(4-bromo-2-chlorophenoxy)propyl-tert-butylammonium IUPAC Name: 3-(4-bromo-2-chlorophenoxy)propyl-tert-butylazanium Traditional Name: 3-(4-bromo-2-chloro-phenoxy)propyl-tert-butyl-ammonium Formula: C13H20BrClNO+ MolecularWeight: 321.661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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