2-methyl-3-[(S)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indole

Systemtic Name: 2-methyl-3-[(S)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indole Openeye Name: 2-methyl-3-[(S)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indole CAS Name: 2-methyl-3-[(S)-1-piperidin-1-iumyl-[4-(trifluoromethyl)phenyl]methyl]-1H-indole IUPAC Name: 2-methyl-3-[(S)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indole Traditional Name: 2-methyl-3-[(S)-piperidin-1-ium-1-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-indole Formula: C22H24F3N2+ MolecularWeight: 373.43457

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)C(F)(F)F)[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@H](C3=CC=C(C=C3)C(F)(F)F)[NH+]4CCCCC4

InChI

InChI=1S/C22H23F3N2/c1-15-20(18-7-3-4-8-19(18)26-15)21(27-13-5-2-6-14-27)16-9-11-17(12-10-16)22(23,24)25/h3-4,7-12,21,26H,2,5-6,13-14H2,1H3/p+1/t21-/m0/s1