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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23BrN2/c1-13(14-6-4-7-15(16)12-14)17-8-5-11-18-9-2-3-10-18/h4,6-7,12-13,17H,2-3,5,8-11H2,1H3/p+2/t13-/m0/s1