2-[4-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[6-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-5-nitro-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitropyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanol Formula: C17H31N6O4+3 MolecularWeight: 383.46584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=[NH+]C(=C(C=C2)[N+](=O)[O-])N3CC[NH+](CC3)CCO

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=[NH+]C(=C(C=C2)[N+](=O)[O-])N3CC[NH+](CC3)CCO

InChI

InChI=1S/C17H28N6O4/c24-13-11-19-3-7-21(8-4-19)16-2-1-15(23(26)27)17(18-16)22-9-5-20(6-10-22)12-14-25/h1-2,24-25H,3-14H2/p+3