4-(4-bromanyl-2-chloranyl-phenoxy)butyl-propan-2-yl-azanium

Systemtic Name: 4-(4-bromanyl-2-chloranyl-phenoxy)butyl-propan-2-yl-azanium Openeye Name: 4-(4-bromo-2-chloro-phenoxy)butyl-isopropyl-ammonium CAS Name: 4-(4-bromo-2-chlorophenoxy)butyl-propan-2-ylammonium IUPAC Name: 4-(4-bromo-2-chlorophenoxy)butyl-propan-2-ylazanium Traditional Name: 4-(4-bromo-2-chloro-phenoxy)butyl-isopropyl-ammonium Formula: C13H20BrClNO+ MolecularWeight: 321.661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CCCCOC1=C(C=C(C=C1)Br)Cl

Isomeric SMILES

CC(C)[NH2+]CCCCOC1=C(C=C(C=C1)Br)Cl

InChI

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