2-azaniumylethyl-[3-(2-bromanyl-4-methyl-phenoxy)propyl]azanium

Systemtic Name: 2-azaniumylethyl-[3-(2-bromanyl-4-methyl-phenoxy)propyl]azanium Openeye Name: 2-azaniumylethyl-[3-(2-bromo-4-methyl-phenoxy)propyl]ammonium CAS Name: 2-ammonioethyl-[3-(2-bromo-4-methylphenoxy)propyl]ammonium IUPAC Name: 2-azaniumylethyl-[3-(2-bromo-4-methylphenoxy)propyl]azanium Traditional Name: 2-ammonioethyl-[3-(2-bromo-4-methyl-phenoxy)propyl]ammonium Formula: C12H21BrN2O+2 MolecularWeight: 289.21194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19BrN2O/c1-10-3-4-12(11(13)9-10)16-8-2-6-15-7-5-14/h3-4,9,15H,2,5-8,14H2,1H3/p+2