8-fluoranyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 8-fluoranyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-8-fluoro-5H-pyrimido[5,4-b]indole CAS Name: 8-fluoro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-8-fluoro-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-8-fluoro-5H-pyrimid[5,4-b]indole Formula: C21H21FN5+ MolecularWeight: 362.423343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3NC5=C4C=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3NC5=C4C=C(C=C5)F

InChI

InChI=1S/C21H20FN5/c22-16-6-7-18-17(12-16)19-20(25-18)21(24-14-23-19)27-10-8-26(9-11-27)13-15-4-2-1-3-5-15/h1-7,12,14,25H,8-11,13H2/p+1