3-methoxypropyl-[2-(4-methyl-2-nitro-phenoxy)ethyl]azanium

Systemtic Name: 3-methoxypropyl-[2-(4-methyl-2-nitro-phenoxy)ethyl]azanium Openeye Name: 3-methoxypropyl-[2-(4-methyl-2-nitro-phenoxy)ethyl]ammonium CAS Name: 3-methoxypropyl-[2-(4-methyl-2-nitrophenoxy)ethyl]ammonium IUPAC Name: 3-methoxypropyl-[2-(4-methyl-2-nitrophenoxy)ethyl]azanium Traditional Name: 3-methoxypropyl-[2-(4-methyl-2-nitro-phenoxy)ethyl]ammonium Formula: C13H21N2O4+ MolecularWeight: 269.31684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC[NH2+]CCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC[NH2+]CCCOC)[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O4/c1-11-4-5-13(12(10-11)15(16)17)19-9-7-14-6-3-8-18-2/h4-5,10,14H,3,6-9H2,1-2H3/p+1