2-[3-(2-bromanyl-4,6-dimethyl-phenoxy)propylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-(2-bromanyl-4,6-dimethyl-phenoxy)propylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[3-(2-bromo-4,6-dimethyl-phenoxy)propylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[3-(2-bromo-4,6-dimethylphenoxy)propylammonio]ethyl-dimethylammonium IUPAC Name: 2-[3-(2-bromo-4,6-dimethylphenoxy)propylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[3-(2-bromo-4,6-dimethyl-phenoxy)propylammonio]ethyl-dimethyl-ammonium Formula: C15H27BrN2O+2 MolecularWeight: 331.29168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCCC[NH2+]CC[NH+](C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCCC[NH2+]CC[NH+](C)C)C

InChI

InChI=1S/C15H25BrN2O/c1-12-10-13(2)15(14(16)11-12)19-9-5-6-17-7-8-18(3)4/h10-11,17H,5-9H2,1-4H3/p+2