5-(phenylmethyl)pyrrolo[1,2-a]quinoxalin-5-ium bromide hydrate

Systemtic Name: 5-(phenylmethyl)pyrrolo[1,2-a]quinoxalin-5-ium bromide hydrate Openeye Name: 5-benzylpyrrolo[1,2-a]quinoxalin-5-ium bromide hydrate CAS Name: 5-(phenylmethyl)pyrrolo[1,2-a]quinoxalin-5-ium bromide hydrate IUPAC Name: 5-benzylpyrrolo[1,2-a]quinoxalin-5-ium bromide hydrate Traditional Name: 5-benzylpyrrolo[1,2-a]quinoxalin-5-ium bromide hydrate Formula: C18H17BrN2O MolecularWeight: 357.24438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC3=CC=CN3C4=CC=CC=C42.O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC3=CC=CN3C4=CC=CC=C42.O.[Br-]

InChI

InChI=1S/C18H15N2.BrH.H2O/c1-2-7-15(8-3-1)13-19-14-16-9-6-12-20(16)18-11-5-4-10-17(18)19;;/h1-12,14H,13H2;1H;1H2/q+1;;/p-1