(2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[4-(1-pyrazolyl)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-1-(benzofurazan-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Formula: C22H23N6O2+ MolecularWeight: 403.45702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CC5=NON=C54

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=CC5=NON=C54

InChI

InChI=1S/C22H22N6O2/c29-22(24-17-8-10-18(11-9-17)28-14-4-12-23-28)20-7-1-2-13-27(20)15-16-5-3-6-19-21(16)26-30-25-19/h3-6,8-12,14,20H,1-2,7,13,15H2,(H,24,29)/p+1/t20-/m1/s1