[4-fluoranyl-2-[1-(pyridin-4-ylamino)-1H-isoindol-5-yl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]carbamic acid

Systemtic Name: [4-fluoranyl-2-[1-(pyridin-4-ylamino)-1H-isoindol-5-yl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]carbamic acid Openeye Name: [4-fluoro-2-[1-(4-pyridylamino)-1H-isoindol-5-yl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]carbamic acid CAS Name: [4-fluoro-2-[1-(pyridin-4-ylamino)-1H-isoindol-5-yl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]carbamic acid IUPAC Name: [4-fluoro-2-[1-(pyridin-4-ylamino)-1H-isoindol-5-yl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]carbamic acid Traditional Name: [4-fluoro-2-[1-(4-pyridylamino)-1H-isoindol-5-yl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]carbamic acid Formula: C23H21FN5O2+ MolecularWeight: 418.443543

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2C[N+]1(C3=CC4=C(C=C3)C(N=C4)NC5=CC=NC=C5)NC(=O)O)F

Isomeric SMILES

C1C(C2=CC=CC=C2C[N+]1(C3=CC4=C(C=C3)C(N=C4)NC5=CC=NC=C5)NC(=O)O)F

InChI

InChI=1S/C23H20FN5O2/c24-21-14-29(28-23(30)31,13-15-3-1-2-4-19(15)21)18-5-6-20-16(11-18)12-26-22(20)27-17-7-9-25-10-8-17/h1-12,21-22,28H,13-14H2,(H-,25,27,30,31)/p+1