3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: 3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzoate Openeye Name: 3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzoate CAS Name: 3-nitro-4-(4-propyl-1-piperazin-4-iumyl)benzoate IUPAC Name: 3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzoate Traditional Name: 3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzoate Formula: C14H19N3O4 MolecularWeight: 293.31836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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