2-azaniumylethyl-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethoxy]ethyl]azanium

Systemtic Name: 2-azaniumylethyl-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethoxy]ethyl]azanium Openeye Name: 2-azaniumylethyl-[2-[2-(4-bromo-2-methyl-phenoxy)ethoxy]ethyl]ammonium CAS Name: 2-ammonioethyl-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]ammonium IUPAC Name: 2-azaniumylethyl-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]azanium Traditional Name: 2-ammonioethyl-[2-[2-(4-bromo-2-methyl-phenoxy)ethoxy]ethyl]ammonium Formula: C13H23BrN2O2+2 MolecularWeight: 319.23792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCCOCC[NH2+]CC[NH3+]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCCOCC[NH2+]CC[NH3+]

InChI

InChI=1S/C13H21BrN2O2/c1-11-10-12(14)2-3-13(11)18-9-8-17-7-6-16-5-4-15/h2-3,10,16H,4-9,15H2,1H3/p+2