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

Systemtic Name: 4-(4-butylpiperazin-1-yl)-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium Openeye Name: 4-(4-butylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium CAS Name: 4-(4-butyl-1-piperazinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium IUPAC Name: 4-(4-butylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 7-(4-butylpiperazino)-4-nitro-1-oxido-benzofurazan-1-ium Formula: C14H19N5O4 MolecularWeight: 321.33176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H19N5O4/c1-2-3-6-16-7-9-17(10-8-16)12-5-4-11(18(20)21)13-14(12)19(22)23-15-13/h4-5H,2-3,6-10H2,1H3