4-[[4-[2-(2-hydroxyethyloxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[[4-[2-(2-hydroxyethyloxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[[4-[2-(2-hydroxyethoxy)ethyl]-1-piperazine-1,4-diiumyl]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-2-methoxy-6-nitro-phenolate Formula: C16H26N3O6+ MolecularWeight: 356.39414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CC[NH+](CC2)CCOCCO

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CC[NH+](CC2)CCOCCO

InChI

InChI=1S/C16H25N3O6/c1-24-15-11-13(10-14(16(15)21)19(22)23)12-18-4-2-17(3-5-18)6-8-25-9-7-20/h10-11,20-21H,2-9,12H2,1H3/p+1