1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(6-phenoxy-3-pyridinyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(benzofurazan-4-ylmethyl)-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide Formula: C24H24N5O3+ MolecularWeight: 430.47906

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)CC4=CC=CC5=NON=C54

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)CC4=CC=CC5=NON=C54

InChI

InChI=1S/C24H23N5O3/c30-24(26-19-9-10-22(25-15-19)31-20-6-2-1-3-7-20)17-11-13-29(14-12-17)16-18-5-4-8-21-23(18)28-32-27-21/h1-10,15,17H,11-14,16H2,(H,26,30)/p+1