(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-piperidin-1-ium-1-yl-acetamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-piperidin-1-ium-1-ylacetamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-piperidin-1-ium-1-yl-acetamide Formula: C21H27N2O+ MolecularWeight: 323.45188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C21H26N2O/c1-16-11-12-17(2)19(15-16)22-21(24)20(18-9-5-3-6-10-18)23-13-7-4-8-14-23/h3,5-6,9-12,15,20H,4,7-8,13-14H2,1-2H3,(H,22,24)/p+1/t20-/m0/s1