5-fluoranyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-indole

Systemtic Name: 5-fluoranyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-indole Openeye Name: 5-fluoro-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-indole CAS Name: 5-fluoro-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 5-fluoro-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-indole Traditional Name: 5-fluoro-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1H-indole Formula: C17H19FN5+ MolecularWeight: 312.364663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(N2)C=CC(=C3)F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(N2)C=CC(=C3)F)C4=NC=CC=N4

InChI

InChI=1S/C17H18FN5/c18-14-2-3-16-13(10-14)11-15(21-16)12-22-6-8-23(9-7-22)17-19-4-1-5-20-17/h1-5,10-11,21H,6-9,12H2/p+1