1-(4-aminophenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-(4-aminophenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-1-one Openeye Name: 1-(4-aminophenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-1-one CAS Name: 1-(4-aminophenyl)-3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-aminophenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-1-one Traditional Name: 1-(4-aminophenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-1-one Formula: C16H25N2O+ MolecularWeight: 261.3825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCC(=O)C2=CC=C(C=C2)N)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CCC(=O)C2=CC=C(C=C2)N)C

InChI

InChI=1S/C16H24N2O/c1-12-9-13(2)11-18(10-12)8-7-16(19)14-3-5-15(17)6-4-14/h3-6,12-13H,7-11,17H2,1-2H3/p+1/t12-,13-/m0/s1