3-(4-bromanyl-2-methyl-phenoxy)propyl-(2-methoxyethyl)azanium

Systemtic Name: 3-(4-bromanyl-2-methyl-phenoxy)propyl-(2-methoxyethyl)azanium Openeye Name: 3-(4-bromo-2-methyl-phenoxy)propyl-(2-methoxyethyl)ammonium CAS Name: 3-(4-bromo-2-methylphenoxy)propyl-(2-methoxyethyl)ammonium IUPAC Name: 3-(4-bromo-2-methylphenoxy)propyl-(2-methoxyethyl)azanium Traditional Name: 3-(4-bromo-2-methyl-phenoxy)propyl-(2-methoxyethyl)ammonium Formula: C13H21BrNO2+ MolecularWeight: 303.21534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrNO2/c1-11-10-12(14)4-5-13(11)17-8-3-6-15-7-9-16-2/h4-5,10,15H,3,6-9H2,1-2H3/p+1