(1S)-2-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanamine

Systemtic Name: (1S)-2-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanamine Openeye Name: (1S)-2-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanamine CAS Name: (1S)-2-[(2S,6R)-2,6-dimethyl-1-piperidin-1-iumyl]-1-(4-methoxyphenyl)ethanamine IUPAC Name: (1S)-2-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethanamine Traditional Name: [(1S)-2-[(2S,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-1-(4-methoxyphenyl)ethyl]amine Formula: C16H27N2O+ MolecularWeight: 263.39838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC(C2=CC=C(C=C2)OC)N)C

Isomeric SMILES

C[C@@H]1CCC[C@@H]([NH+]1C[C@H](C2=CC=C(C=C2)OC)N)C

InChI

InChI=1S/C16H26N2O/c1-12-5-4-6-13(2)18(12)11-16(17)14-7-9-15(19-3)10-8-14/h7-10,12-13,16H,4-6,11,17H2,1-3H3/p+1/t12-,13+,16-/m1/s1