6-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: 6-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: 6-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 6-[3-[(1S)-1-(1-pyrrolidin-1-iumyl)ethyl]phenyl]-2-pyrazolo[1,5-a]pyrimidinecarboxylate IUPAC Name: 6-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 6-[3-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylate Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C2=CN3C(=CC(=N3)C(=O)[O-])N=C2)[NH+]4CCCC4

Isomeric SMILES

C[C@@H](C1=CC=CC(=C1)C2=CN3C(=CC(=N3)C(=O)[O-])N=C2)[NH+]4CCCC4

InChI

InChI=1S/C19H20N4O2/c1-13(22-7-2-3-8-22)14-5-4-6-15(9-14)16-11-20-18-10-17(19(24)25)21-23(18)12-16/h4-6,9-13H,2-3,7-8H2,1H3,(H,24,25)/t13-/m0/s1