1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[4-(1-pyrazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(benzofurazan-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C22H23N6O2+ MolecularWeight: 403.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC5=NON=C5C=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC5=NON=C5C=C4

InChI

InChI=1S/C22H22N6O2/c29-22(24-18-3-5-19(6-4-18)28-11-1-10-23-28)17-8-12-27(13-9-17)15-16-2-7-20-21(14-16)26-30-25-20/h1-7,10-11,14,17H,8-9,12-13,15H2,(H,24,29)/p+1