(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[2-(3-pyridinyloxy)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(benzofurazan-5-ylmethyl)-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide Formula: C24H24N5O3+ MolecularWeight: 430.47906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=NON=C3C=C2)C(=O)NC4=CC=CC=C4OC5=CN=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=NON=C3C=C2)C(=O)NC4=CC=CC=C4OC5=CN=CC=C5

InChI

InChI=1S/C24H23N5O3/c30-24(26-21-7-1-2-8-23(21)31-19-6-3-11-25-14-19)18-5-4-12-29(16-18)15-17-9-10-20-22(13-17)28-32-27-20/h1-3,6-11,13-14,18H,4-5,12,15-16H2,(H,26,30)/p+1/t18-/m0/s1