2-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-1-ium-1-yl]-2-fluoranyl-ethanol

Systemtic Name: 2-[1-[4-[(3-chloranyl-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-1-ium-1-yl]-2-fluoranyl-ethanol Openeye Name: 2-[1-[4-[(3-chloro-4-methoxy-phenyl)methylamino]phthalazin-1-yl]piperidin-1-ium-1-yl]-2-fluoro-ethanol CAS Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]-1-phthalazinyl]-1-piperidin-1-iumyl]-2-fluoroethanol IUPAC Name: 2-[1-[4-[(3-chloro-4-methoxyphenyl)methylamino]phthalazin-1-yl]piperidin-1-ium-1-yl]-2-fluoroethanol Traditional Name: 2-[1-[4-[(3-chloro-4-methoxy-benzyl)amino]phthalazin-1-yl]piperidin-1-ium-1-yl]-2-fluoro-ethanol Formula: C23H27ClFN4O2+ MolecularWeight: 445.937483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)[N+]4(CCCCC4)C(CO)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=CC=CC=C32)[N+]4(CCCCC4)C(CO)F)Cl

InChI

InChI=1S/C23H27ClFN4O2/c1-31-20-10-9-16(13-19(20)24)14-26-22-17-7-3-4-8-18(17)23(28-27-22)29(21(25)15-30)11-5-2-6-12-29/h3-4,7-10,13,21,30H,2,5-6,11-12,14-15H2,1H3,(H,26,27)/q+1