2-[[(2S)-pyrrolidin-2-yl]methyl]isoquinolin-2-ium bromide hydrobromide

Systemtic Name: 2-[[(2S)-pyrrolidin-2-yl]methyl]isoquinolin-2-ium bromide hydrobromide Openeye Name: 2-[[(2S)-pyrrolidin-2-yl]methyl]isoquinolin-2-ium bromide hydrobromide CAS Name: 2-[[(2S)-2-pyrrolidinyl]methyl]isoquinolin-2-ium bromide hydrobromide IUPAC Name: 2-[[(2S)-pyrrolidin-2-yl]methyl]isoquinolin-2-ium bromide hydrobromide Traditional Name: 2-[[(2S)-pyrrolidin-2-yl]methyl]isoquinolin-2-ium bromide hydrobromide Formula: C14H18Br2N2 MolecularWeight: 374.11412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C[N+]2=CC3=CC=CC=C3C=C2.Br.[Br-]

Isomeric SMILES

C1C[C@H](NC1)C[N+]2=CC3=CC=CC=C3C=C2.Br.[Br-]

InChI

InChI=1S/C14H17N2.2BrH/c1-2-5-13-10-16(9-7-12(13)4-1)11-14-6-3-8-15-14;;/h1-2,4-5,7,9-10,14-15H,3,6,8,11H2;2*1H/q+1;;/p-1/t14-;;/m0../s1