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

Systemtic Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-8-fluoranyl-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-8-fluoro-5H-pyrimido[5,4-b]indole CAS Name: 4-(4-cyclohexyl-1-piperazin-4-iumyl)-8-fluoro-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-8-fluoro-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-cyclohexylpiperazin-4-ium-1-yl)-8-fluoro-5H-pyrimid[5,4-b]indole Formula: C20H25FN5+ MolecularWeight: 354.444403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C3=NC=NC4=C3NC5=C4C=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C3=NC=NC4=C3NC5=C4C=C(C=C5)F

InChI

InChI=1S/C20H24FN5/c21-14-6-7-17-16(12-14)18-19(24-17)20(23-13-22-18)26-10-8-25(9-11-26)15-4-2-1-3-5-15/h6-7,12-13,15,24H,1-5,8-11H2/p+1