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

Systemtic Name: (2R)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-1-(benzofurazan-5-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidin-1-ium-2-carboxamide Formula: C21H21N6O2+ MolecularWeight: 389.43044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC3=NON=C3C=C2)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=CC3=NON=C3C=C2)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

InChI

InChI=1S/C21H20N6O2/c28-21(23-16-4-1-5-17(13-16)27-11-3-9-22-27)20-6-2-10-26(20)14-15-7-8-18-19(12-15)25-29-24-18/h1,3-5,7-9,11-13,20H,2,6,10,14H2,(H,23,28)/p+1/t20-/m1/s1