5-nitro-2-(4-propylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: 5-nitro-2-(4-propylpiperazin-4-ium-1-yl)benzoate Openeye Name: 5-nitro-2-(4-propylpiperazin-4-ium-1-yl)benzoate CAS Name: 5-nitro-2-(4-propyl-1-piperazin-4-iumyl)benzoate IUPAC Name: 5-nitro-2-(4-propylpiperazin-4-ium-1-yl)benzoate Traditional Name: 5-nitro-2-(4-propylpiperazin-4-ium-1-yl)benzoate Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H19N3O4/c1-2-5-15-6-8-16(9-7-15)13-4-3-11(17(20)21)10-12(13)14(18)19/h3-4,10H,2,5-9H2,1H3,(H,18,19)