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

Systemtic Name: 1-(2-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(2-methoxyphenyl)-4-[(5-nitro-2-furyl)methyl]piperazin-4-ium CAS Name: 1-(2-methoxyphenyl)-4-[(5-nitro-2-furanyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methyl]piperazin-4-ium Traditional Name: 1-(2-methoxyphenyl)-4-[(5-nitro-2-furyl)methyl]piperazin-4-ium Formula: C16H20N3O4+ MolecularWeight: 318.3477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-22-15-5-3-2-4-14(15)18-10-8-17(9-11-18)12-13-6-7-16(23-13)19(20)21/h2-7H,8-12H2,1H3/p+1