[(1S)-1-(4-bromophenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(1S)-1-(4-bromophenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(4-bromophenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(4-bromophenyl)ethyl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(4-bromophenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(4-bromophenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C15H25BrN2+2 MolecularWeight: 313.2764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)[NH2+]CCC[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Br)[NH2+]CCC[NH+]2CCCC2

InChI

InChI=1S/C15H23BrN2/c1-13(14-5-7-15(16)8-6-14)17-9-4-12-18-10-2-3-11-18/h5-8,13,17H,2-4,9-12H2,1H3/p+2/t13-/m0/s1