3-[(R)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-2-yl-methyl]-2-methyl-1H-indole

Systemtic Name: 3-[(R)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-2-yl-methyl]-2-methyl-1H-indole Openeye Name: 3-[(R)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-(2-pyridyl)methyl]-2-methyl-1H-indole CAS Name: 3-[(R)-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-(2-pyridinyl)methyl]-2-methyl-1H-indole IUPAC Name: 3-[(R)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-2-ylmethyl]-2-methyl-1H-indole Traditional Name: 3-[(R)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-(2-pyridyl)methyl]-2-methyl-1H-indole Formula: C25H26FN4+ MolecularWeight: 401.499143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC=CC=N3)[NH+]4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@H](C3=CC=CC=N3)[NH+]4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H25FN4/c1-18-24(21-6-2-3-7-22(21)28-18)25(23-8-4-5-13-27-23)30-16-14-29(15-17-30)20-11-9-19(26)10-12-20/h2-13,25,28H,14-17H2,1H3/p+1/t25-/m0/s1