4-(4-methylpiperazin-4-ium-1-yl)-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 7-(4-methylpiperazin-4-ium-1-yl)-4-nitro-1-oxido-benzofurazan-1-ium Formula: C11H14N5O4+ MolecularWeight: 280.25996

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H13N5O4/c1-13-4-6-14(7-5-13)9-3-2-8(15(17)18)10-11(9)16(19)20-12-10/h2-3H,4-7H2,1H3/p+1