(NE)-N-[(2S,5S)-2,5-dimethyl-1-phenethyl-piperidin-1-ium-4-ylidene]hydroxylamine

Systemtic Name: (NE)-N-[(2S,5S)-2,5-dimethyl-1-phenethyl-piperidin-1-ium-4-ylidene]hydroxylamine Openeye Name: (2S,5S)-2,5-dimethyl-1-phenethyl-piperidin-1-ium-4-one oxime CAS Name: (2S,5S)-2,5-dimethyl-1-phenethyl-4-piperidin-1-iumone oxime IUPAC Name: (NE)-N-[(2S,5S)-2,5-dimethyl-1-phenethylpiperidin-1-ium-4-ylidene]hydroxylamine Traditional Name: (2S,5S)-2,5-dimethyl-1-phenethyl-piperidin-1-ium-4-one oxime Formula: C15H23N2O+ MolecularWeight: 247.35592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NO)C(C[NH+]1CCC2=CC=CC=C2)C

Isomeric SMILES

C[C@H]1C/C(=N\O)/[C@H](C[NH+]1CCC2=CC=CC=C2)C

InChI

InChI=1S/C15H22N2O/c1-12-11-17(13(2)10-15(12)16-18)9-8-14-6-4-3-5-7-14/h3-7,12-13,18H,8-11H2,1-2H3/p+1/b16-15+/t12-,13-/m0/s1