2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate Openeye Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate CAS Name: 2-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-nitrophenolate IUPAC Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-nitrophenolate Traditional Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate Formula: C18H21N3O4 MolecularWeight: 343.37704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H21N3O4/c1-25-18-5-3-2-4-16(18)20-10-8-19(9-11-20)13-14-12-15(21(23)24)6-7-17(14)22/h2-7,12,22H,8-11,13H2,1H3