3-[[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]methyl]-1,3-oxazolidine-2-thione

Systemtic Name: 3-[[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]methyl]-1,3-oxazolidine-2-thione Openeye Name: 3-[[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]methyl]oxazolidine-2-thione CAS Name: 3-[[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]methyl]-2-oxazolidinethione IUPAC Name: 3-[[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]methyl]-1,3-oxazolidine-2-thione Traditional Name: 3-[[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]methyl]oxazolidine-2-thione Formula: C17H20N5O3S+ MolecularWeight: 374.4374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2CCOC2=S)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CN2CCOC2=S)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O3S/c23-22(24)16-2-1-15(13-3-4-18-11-14(13)16)20-7-5-19(6-8-20)12-21-9-10-25-17(21)26/h1-4,11H,5-10,12H2/p+1