(2-fluoranyl-5-methoxy-phenyl)methyl-[(1R)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium

Systemtic Name: (2-fluoranyl-5-methoxy-phenyl)methyl-[(1R)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]azanium Openeye Name: (2-fluoro-5-methoxy-phenyl)methyl-[(1R)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium CAS Name: (2-fluoro-5-methoxyphenyl)methyl-[(1R)-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethyl]ammonium IUPAC Name: (2-fluoro-5-methoxyphenyl)methyl-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]azanium Traditional Name: (2-fluoro-5-methoxy-benzyl)-[(1R)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]ammonium Formula: C20H22FN4O+ MolecularWeight: 353.413283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)[NH2+]CC2=C(C=CC(=C2)OC)F)C3=CC=NC=C3

Isomeric SMILES

CC1=NC(=NC=C1[C@@H](C)[NH2+]CC2=C(C=CC(=C2)OC)F)C3=CC=NC=C3

InChI

InChI=1S/C20H21FN4O/c1-13(23-11-16-10-17(26-3)4-5-19(16)21)18-12-24-20(25-14(18)2)15-6-8-22-9-7-15/h4-10,12-13,23H,11H2,1-3H3/p+1/t13-/m1/s1