(2S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[4-(3-pyridinyloxy)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-(benzofurazan-4-ylmethyl)-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide Formula: C24H24N5O3+ MolecularWeight: 430.47906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3)CC4=CC=CC5=NON=C54

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3)CC4=CC=CC5=NON=C54

InChI

InChI=1S/C24H23N5O3/c30-24(26-18-9-11-19(12-10-18)31-20-6-4-13-25-15-20)22-8-1-2-14-29(22)16-17-5-3-7-21-23(17)28-32-27-21/h3-7,9-13,15,22H,1-2,8,14,16H2,(H,26,30)/p+1/t22-/m0/s1