5-bromanyl-3-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]pyridin-1-ium-2-amine

Systemtic Name: 5-bromanyl-3-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]pyridin-1-ium-2-amine Openeye Name: 5-bromo-3-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]pyridin-1-ium-2-amine CAS Name: 5-bromo-3-[(2S)-1,1-dimethyl-2-pyrrolidin-1-iumyl]-2-pyridin-1-iumamine IUPAC Name: 5-bromo-3-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]pyridin-1-ium-2-amine Traditional Name: [5-bromo-3-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]pyridin-1-ium-2-yl]amine Formula: C11H18BrN3+2 MolecularWeight: 272.18472

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1C2=CC(=C[NH+]=C2N)Br)C

Isomeric SMILES

C[N+]1(CCC[C@H]1C2=CC(=C[NH+]=C2N)Br)C

InChI

InChI=1S/C11H17BrN3/c1-15(2)5-3-4-10(15)9-6-8(12)7-14-11(9)13/h6-7,10H,3-5H2,1-2H3,(H2,13,14)/q+1/p+1/t10-/m0/s1