(2S)-4-methyl-1-[3-(phenylmethyl)imidazol-3-ium-1-yl]pentan-2-amine bromide hydrobromide

Systemtic Name: (2S)-4-methyl-1-[3-(phenylmethyl)imidazol-3-ium-1-yl]pentan-2-amine bromide hydrobromide Openeye Name: (2S)-1-(3-benzylimidazol-3-ium-1-yl)-4-methyl-pentan-2-amine bromide hydrobromide CAS Name: (2S)-4-methyl-1-[3-(phenylmethyl)-1-imidazol-3-iumyl]-2-pentanamine bromide hydrobromide IUPAC Name: (2S)-1-(3-benzylimidazol-3-ium-1-yl)-4-methylpentan-2-amine bromide hydrobromide Traditional Name: [(1S)-1-[(3-benzylimidazol-3-ium-1-yl)methyl]-3-methyl-butyl]amine bromide hydrobromide Formula: C16H25Br2N3 MolecularWeight: 419.1978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CN1C=C[N+](=C1)CC2=CC=CC=C2)N.Br.[Br-]

Isomeric SMILES

CC(C)C[C@@H](CN1C=C[N+](=C1)CC2=CC=CC=C2)N.Br.[Br-]

InChI

InChI=1S/C16H24N3.2BrH/c1-14(2)10-16(17)12-19-9-8-18(13-19)11-15-6-4-3-5-7-15;;/h3-9,13-14,16H,10-12,17H2,1-2H3;2*1H/q+1;;/p-1/t16-;;/m0../s1