1-(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C21H26FN6O+ MolecularWeight: 397.469143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C3=NC=NC4=C3NC5=C4C=C(C=C5)F)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C3=NC=NC4=C3NC5=C4C=C(C=C5)F)C(=O)N

InChI

InChI=1S/C21H25FN6O/c22-14-4-5-16-15(12-14)17-18(26-16)19(25-13-24-17)27-10-6-21(7-11-27,20(23)29)28-8-2-1-3-9-28/h4-5,12-13,26H,1-3,6-11H2,(H2,23,29)/p+1