(2R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-1-(2,3-dihydrobenzofuran-5-ylmethyl)-N-[4-(1-pyrazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-(coumaran-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C23H25N4O2+ MolecularWeight: 389.4702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC3=C(C=C2)OCC3)C(=O)NC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC3=C(C=C2)OCC3)C(=O)NC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C23H24N4O2/c28-23(25-19-5-7-20(8-6-19)27-13-2-11-24-27)21-3-1-12-26(21)16-17-4-9-22-18(15-17)10-14-29-22/h2,4-9,11,13,15,21H,1,3,10,12,14,16H2,(H,25,28)/p+1/t21-/m1/s1