(2S)-1-(4-methylphenyl)-3-phenyl-2-piperidin-1-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-(4-methylphenyl)-3-phenyl-2-piperidin-1-ium-1-yl-propan-1-one Openeye Name: (2S)-3-phenyl-2-piperidin-1-ium-1-yl-1-(p-tolyl)propan-1-one CAS Name: (2S)-1-(4-methylphenyl)-3-phenyl-2-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: (2S)-1-(4-methylphenyl)-3-phenyl-2-piperidin-1-ium-1-ylpropan-1-one Traditional Name: (2S)-3-phenyl-2-piperidin-1-ium-1-yl-1-(p-tolyl)propan-1-one Formula: C21H26NO+ MolecularWeight: 308.43724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(CC2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](CC2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C21H25NO/c1-17-10-12-19(13-11-17)21(23)20(22-14-6-3-7-15-22)16-18-8-4-2-5-9-18/h2,4-5,8-13,20H,3,6-7,14-16H2,1H3/p+1/t20-/m0/s1