1-[2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]ethanoyl]imidazolidin-2-one

Systemtic Name: 1-[2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]ethanoyl]imidazolidin-2-one Openeye Name: 1-[2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]acetyl]imidazolidin-2-one CAS Name: 1-[2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2-imidazolidinone IUPAC Name: 1-[2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]acetyl]imidazolidin-2-one Traditional Name: 1-[2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]acetyl]-2-imidazolidinone Formula: C18H21N6O4+ MolecularWeight: 385.39714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)C(=O)C[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(=O)N1)C(=O)C[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O4/c25-17(23-6-5-20-18(23)26)12-21-7-9-22(10-8-21)15-1-2-16(24(27)28)14-11-19-4-3-13(14)15/h1-4,11H,5-10,12H2,(H,20,26)/p+1