5-nitro-1,2,3,4-tetrahydroisoquinolin-2-ium bromide

Systemtic Name: 5-nitro-1,2,3,4-tetrahydroisoquinolin-2-ium bromide Openeye Name: 5-nitro-1,2,3,4-tetrahydroisoquinolin-2-ium bromide CAS Name: 5-nitro-1,2,3,4-tetrahydroisoquinolin-2-ium bromide IUPAC Name: 5-nitro-1,2,3,4-tetrahydroisoquinolin-2-ium bromide Traditional Name: 5-nitro-1,2,3,4-tetrahydroisoquinolin-2-ium bromide Formula: C9H11BrN2O2 MolecularWeight: 259.09984

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC2=C1C(=CC=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1C[NH2+]CC2=C1C(=CC=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C9H10N2O2.BrH/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9;/h1-3,10H,4-6H2;1H