1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)-2-furyl]methyl]piperazin-4-ium CAS Name: 1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)-2-furanyl]methyl]piperazin-4-ium IUPAC Name: 1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium Traditional Name: 1-(2-methoxyphenyl)-4-[[5-(2-nitrophenyl)-2-furyl]methyl]piperazin-4-ium Formula: C22H24N3O4+ MolecularWeight: 394.44366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4/c1-28-22-9-5-4-8-20(22)24-14-12-23(13-15-24)16-17-10-11-21(29-17)18-6-2-3-7-19(18)25(26)27/h2-11H,12-16H2,1H3/p+1