3-[[7-(4-methylpiperazin-4-ium-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol

Systemtic Name: 3-[[7-(4-methylpiperazin-4-ium-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-(4-methylpiperazin-4-ium-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-(4-methyl-1-piperazin-4-iumyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-(4-methylpiperazin-4-ium-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[7-(4-methylpiperazin-4-ium-1-yl)-4-nitro-benzofurazan-5-yl]amino]propan-1-ol Formula: C14H21N6O4+ MolecularWeight: 337.35434

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C14H20N6O4/c1-18-4-6-19(7-5-18)11-9-10(15-3-2-8-21)14(20(22)23)13-12(11)16-24-17-13/h9,15,21H,2-8H2,1H3/p+1