(2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propionamide Formula: C21H24BrN2O+ MolecularWeight: 400.33206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)[NH+]2CCC(=CC2)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)[NH+]2CCC(=CC2)C3=CC=CC=C3)Br

InChI

InChI=1S/C21H23BrN2O/c1-15-8-9-20(19(22)14-15)23-21(25)16(2)24-12-10-18(11-13-24)17-6-4-3-5-7-17/h3-10,14,16H,11-13H2,1-2H3,(H,23,25)/p+1/t16-/m0/s1