3-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pteridin-4-one

Systemtic Name: 3-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pteridin-4-one Openeye Name: 3-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pteridin-4-one CAS Name: 3-[(2R)-2-(2-fluorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-pteridinone IUPAC Name: 3-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]pteridin-4-one Traditional Name: 3-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pteridin-4-one Formula: C18H19FN5O+ MolecularWeight: 340.374763

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CN2C=NC3=NC=CN=C3C2=O)C4=CC=CC=C4F

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CN2C=NC3=NC=CN=C3C2=O)C4=CC=CC=C4F

InChI

InChI=1S/C18H18FN5O/c19-14-6-2-1-5-13(14)15(23-9-3-4-10-23)11-24-12-22-17-16(18(24)25)20-7-8-21-17/h1-2,5-8,12,15H,3-4,9-11H2/p+1/t15-/m0/s1