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

Systemtic Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-1-ium-3-yl-methyl]-2-methyl-1H-indole Openeye Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-1-ium-3-yl-methyl]-2-methyl-1H-indole CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-(3-pyridin-1-iumyl)methyl]-2-methyl-1H-indole IUPAC Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-1-ium-3-ylmethyl]-2-methyl-1H-indole Traditional Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-1-ium-3-yl-methyl]-2-methyl-1H-indole Formula: C25H27FN4+2 MolecularWeight: 402.507083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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