2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]ethanol Formula: C15H19N4O3+ MolecularWeight: 303.33636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O3/c20-10-9-17-5-7-18(8-6-17)14-1-2-15(19(21)22)13-11-16-4-3-12(13)14/h1-4,11,20H,5-10H2/p+1