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

Systemtic Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate Openeye Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-nitro-phenolate CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-nitrophenolate IUPAC Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-nitrophenolate Traditional Name: 4-nitro-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]phenolate Formula: C19H23N3O4 MolecularWeight: 357.40362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H23N3O4/c1-2-26-19-6-4-3-5-17(19)21-11-9-20(10-12-21)14-15-13-16(22(24)25)7-8-18(15)23/h3-8,13,23H,2,9-12,14H2,1H3