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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC=CC=N3)[NH+]4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@H](C3=CC=CC=N3)[NH+]4CCN(CC4)C5=CC=CC=C5F

InChI

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