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

Systemtic Name: 2-azaniumylethyl-[4-(2-bromanyl-4-methyl-phenoxy)butyl]azanium Openeye Name: 2-azaniumylethyl-[4-(2-bromo-4-methyl-phenoxy)butyl]ammonium CAS Name: 2-ammonioethyl-[4-(2-bromo-4-methylphenoxy)butyl]ammonium IUPAC Name: 2-azaniumylethyl-[4-(2-bromo-4-methylphenoxy)butyl]azanium Traditional Name: 2-ammonioethyl-[4-(2-bromo-4-methyl-phenoxy)butyl]ammonium Formula: C13H23BrN2O+2 MolecularWeight: 303.23852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21BrN2O/c1-11-4-5-13(12(14)10-11)17-9-3-2-7-16-8-6-15/h4-5,10,16H,2-3,6-9,15H2,1H3/p+2