[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]phenyl]methylazanium

Systemtic Name: [4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]phenyl]methylazanium Openeye Name: [4-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [4-[2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-oxoethoxy]phenyl]methylammonium IUPAC Name: [4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]methylazanium Traditional Name: [4-[2-[(3S,5S)-3,5-dimethylpiperidino]-2-keto-ethoxy]benzyl]ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC2=CC=C(C=C2)C[NH3+])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)COC2=CC=C(C=C2)C[NH3+])C

InChI

InChI=1S/C16H24N2O2/c1-12-7-13(2)10-18(9-12)16(19)11-20-15-5-3-14(8-17)4-6-15/h3-6,12-13H,7-11,17H2,1-2H3/p+1/t12-,13-/m0/s1