4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzoate

Systemtic Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzoate Openeye Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzoate CAS Name: 4-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-nitrobenzoate IUPAC Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitrobenzoate Traditional Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-3-nitro-benzoate Formula: C13H17N3O5 MolecularWeight: 295.29118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c17-8-7-14-3-5-15(6-4-14)11-2-1-10(13(18)19)9-12(11)16(20)21/h1-2,9,17H,3-8H2,(H,18,19)