(2S,5S)-1,2,5-trimethyl-N-(4-nitrophenoxy)piperidin-1-ium-4-imine

Systemtic Name: (2S,5S)-1,2,5-trimethyl-N-(4-nitrophenoxy)piperidin-1-ium-4-imine Openeye Name: (2S,5S)-1,2,5-trimethyl-N-(4-nitrophenoxy)piperidin-1-ium-4-imine CAS Name: (2S,5S)-1,2,5-trimethyl-N-(4-nitrophenoxy)-4-piperidin-1-iumimine IUPAC Name: (2S,5S)-1,2,5-trimethyl-N-(4-nitrophenoxy)piperidin-1-ium-4-imine Traditional Name: (E)-(4-nitrophenoxy)-[(2S,5S)-1,2,5-trimethylpiperidin-1-ium-4-ylidene]amine Formula: C14H20N3O3+ MolecularWeight: 278.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NOC2=CC=C(C=C2)[N+](=O)[O-])C(C[NH+]1C)C

Isomeric SMILES

C[C@H]1C/C(=N\OC2=CC=C(C=C2)[N+](=O)[O-])/[C@H](C[NH+]1C)C

InChI

InChI=1S/C14H19N3O3/c1-10-9-16(3)11(2)8-14(10)15-20-13-6-4-12(5-7-13)17(18)19/h4-7,10-11H,8-9H2,1-3H3/p+1/b15-14+/t10-,11-/m0/s1