[(3S)-3-(4-bromophenyl)-3-pyrrolidin-1-ium-1-yl-propyl]azanium

Systemtic Name: [(3S)-3-(4-bromophenyl)-3-pyrrolidin-1-ium-1-yl-propyl]azanium Openeye Name: [(3S)-3-(4-bromophenyl)-3-pyrrolidin-1-ium-1-yl-propyl]ammonium CAS Name: [(3S)-3-(4-bromophenyl)-3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(3S)-3-(4-bromophenyl)-3-pyrrolidin-1-ium-1-ylpropyl]azanium Traditional Name: [(3S)-3-(4-bromophenyl)-3-pyrrolidin-1-ium-1-yl-propyl]ammonium Formula: C13H21BrN2+2 MolecularWeight: 285.22324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CC[NH3+])C2=CC=C(C=C2)Br

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CC[NH3+])C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H19BrN2/c14-12-5-3-11(4-6-12)13(7-8-15)16-9-1-2-10-16/h3-6,13H,1-2,7-10,15H2/p+2/t13-/m0/s1