2,6-dimethoxy-4-[[4-[(2-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[[4-[(2-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[4-[(2-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[4-[(2-nitrophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[4-[(2-nitrophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[[4-(2-nitrobenzyl)piperazine-1,4-diium-1-yl]methyl]phenol Formula: C20H27N3O5+2 MolecularWeight: 389.44548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5/c1-27-18-11-15(12-19(28-2)20(18)24)13-21-7-9-22(10-8-21)14-16-5-3-4-6-17(16)23(25)26/h3-6,11-12,24H,7-10,13-14H2,1-2H3/p+2