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

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-8-fluoranyl-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-8-fluoro-5H-pyrimido[5,4-b]indole CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-8-fluoro-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-8-fluoro-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-8-fluoro-5H-pyrimid[5,4-b]indole Formula: C16H19FN5+ MolecularWeight: 300.353963

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=NC3=C2NC4=C3C=C(C=C4)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=NC3=C2NC4=C3C=C(C=C4)F

InChI

InChI=1S/C16H18FN5/c1-2-21-5-7-22(8-6-21)16-15-14(18-10-19-16)12-9-11(17)3-4-13(12)20-15/h3-4,9-10,20H,2,5-8H2,1H3/p+1