N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-8-fluoranyl-5H-pyrimido[5,4-b]indol-4-amine

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-8-fluoranyl-5H-pyrimido[5,4-b]indol-4-amine Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine Traditional Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-(8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)amine Formula: C17H21FN5+ MolecularWeight: 314.380543

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=NC=NC3=C2NC4=C3C=C(C=C4)F

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=NC=NC3=C2NC4=C3C=C(C=C4)F

InChI

InChI=1S/C17H20FN5/c1-2-23-7-3-4-12(23)9-19-17-16-15(20-10-21-17)13-8-11(18)5-6-14(13)22-16/h5-6,8,10,12,22H,2-4,7,9H2,1H3,(H,19,20,21)/p+1/t12-/m0/s1