2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)ethanamide

Systemtic Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O2/c1-16-12-17(2)14-23(13-16)15-21(24)22-18-8-10-20(11-9-18)25-19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,22,24)/p+1/t16-,17-/m0/s1