2-[4-(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol Formula: C16H19FN5O+ MolecularWeight: 316.353363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=NC=NC3=C2NC4=C3C=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=NC=NC3=C2NC4=C3C=C(C=C4)F

InChI

InChI=1S/C16H18FN5O/c17-11-1-2-13-12(9-11)14-15(20-13)16(19-10-18-14)22-5-3-21(4-6-22)7-8-23/h1-2,9-10,20,23H,3-8H2/p+1