8-fluoranyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 8-fluoranyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-8-fluoro-5H-pyrimido[5,4-b]indole CAS Name: 8-fluoro-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 8-fluoro-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-8-fluoro-5H-pyrimid[5,4-b]indole Formula: C23H23FN5+ MolecularWeight: 388.460623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22FN5/c24-18-8-9-20-19(15-18)21-22(27-20)23(26-16-25-21)29-13-11-28(12-14-29)10-4-7-17-5-2-1-3-6-17/h1-9,15-16,27H,10-14H2/p+1/b7-4+