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

Systemtic Name: (2S,5S)-N,2,5-trimethyl-1-phenethyl-piperidin-1-ium-4-imine Openeye Name: (2S,5S)-N,2,5-trimethyl-1-phenethyl-piperidin-1-ium-4-imine CAS Name: (2S,5S)-N,2,5-trimethyl-1-phenethyl-4-piperidin-1-iumimine IUPAC Name: (2S,5S)-N,2,5-trimethyl-1-phenethylpiperidin-1-ium-4-imine Traditional Name: [(2S,5S)-2,5-dimethyl-1-phenethyl-piperidin-1-ium-4-ylidene]-methyl-amine Formula: C16H25N2+ MolecularWeight: 245.3831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NC)C(C[NH+]1CCC2=CC=CC=C2)C

Isomeric SMILES

C[C@H]1CC(=NC)[C@H](C[NH+]1CCC2=CC=CC=C2)C

InChI

InChI=1S/C16H24N2/c1-13-12-18(14(2)11-16(13)17-3)10-9-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3/p+1/t13-,14-/m0/s1