1-ethyl-4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazin-1-ium

Systemtic Name: 1-ethyl-4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazin-1-ium Openeye Name: 1-ethyl-4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazin-1-ium CAS Name: 1-ethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]piperazin-1-ium Traditional Name: 1-ethyl-4-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperazin-1-ium Formula: C15H24N3O3+ MolecularWeight: 294.36936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCOC2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC[NH+]1CCN(CC1)CCOC2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H23N3O3/c1-3-16-6-8-17(9-7-16)10-11-21-14-4-5-15(18(19)20)13(2)12-14/h4-5,12H,3,6-11H2,1-2H3/p+1