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

Systemtic Name: 5-[[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole Openeye Name: 3-isopropyl-5-[[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 5-[[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]methyl]-3-propan-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole Traditional Name: 3-isopropyl-5-[[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C19H23N6O3+ MolecularWeight: 383.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)C[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NOC(=N1)C[NH+]2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O3/c1-13(2)19-21-18(28-22-19)12-23-7-9-24(10-8-23)16-3-4-17(25(26)27)15-11-20-6-5-14(15)16/h3-6,11,13H,7-10,12H2,1-2H3/p+1