3-[[(1S)-1-(4-bromophenyl)ethyl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[(1S)-1-(4-bromophenyl)ethyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(1S)-1-(4-bromophenyl)ethyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(1S)-1-(4-bromophenyl)ethyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(1S)-1-(4-bromophenyl)ethyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(1S)-1-(4-bromophenyl)ethyl]ammonio]propyl-dimethyl-ammonium Formula: C13H23BrN2+2 MolecularWeight: 287.23912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21BrN2/c1-11(15-9-4-10-16(2)3)12-5-7-13(14)8-6-12/h5-8,11,15H,4,9-10H2,1-3H3/p+2/t11-/m0/s1