1-[4-(2-bromanyl-4-methyl-phenoxy)butyl]pyrrolidin-1-ium

Systemtic Name: 1-[4-(2-bromanyl-4-methyl-phenoxy)butyl]pyrrolidin-1-ium Openeye Name: 1-[4-(2-bromo-4-methyl-phenoxy)butyl]pyrrolidin-1-ium CAS Name: 1-[4-(2-bromo-4-methylphenoxy)butyl]pyrrolidin-1-ium IUPAC Name: 1-[4-(2-bromo-4-methylphenoxy)butyl]pyrrolidin-1-ium Traditional Name: 1-[4-(2-bromo-4-methyl-phenoxy)butyl]pyrrolidin-1-ium Formula: C15H23BrNO+ MolecularWeight: 313.25322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC[NH+]2CCCC2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC[NH+]2CCCC2)Br

InChI

InChI=1S/C15H22BrNO/c1-13-6-7-15(14(16)12-13)18-11-5-4-10-17-8-2-3-9-17/h6-7,12H,2-5,8-11H2,1H3/p+1