4-(2-bromanyl-4-methyl-phenoxy)butyl-(3-methoxypropyl)azanium

Systemtic Name: 4-(2-bromanyl-4-methyl-phenoxy)butyl-(3-methoxypropyl)azanium Openeye Name: 4-(2-bromo-4-methyl-phenoxy)butyl-(3-methoxypropyl)ammonium CAS Name: 4-(2-bromo-4-methylphenoxy)butyl-(3-methoxypropyl)ammonium IUPAC Name: 4-(2-bromo-4-methylphenoxy)butyl-(3-methoxypropyl)azanium Traditional Name: 4-(2-bromo-4-methyl-phenoxy)butyl-(3-methoxypropyl)ammonium Formula: C15H25BrNO2+ MolecularWeight: 331.2685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24BrNO2/c1-13-6-7-15(14(16)12-13)19-11-4-3-8-17-9-5-10-18-2/h6-7,12,17H,3-5,8-11H2,1-2H3/p+1