2-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-oxidanyl-isoindol-2-ium-1,3-diol

Systemtic Name: 2-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-oxidanyl-isoindol-2-ium-1,3-diol Openeye Name: 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethyl]-2-hydroxy-isoindol-2-ium-1,3-diol CAS Name: 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethyl]-2-hydroxyisoindol-2-ium-1,3-diol IUPAC Name: 2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxyisoindol-2-ium-1,3-diol Traditional Name: 2-[2-[4-(6-fluoroindoxazen-3-yl)piperidino]ethyl]-2-hydroxy-isoindol-2-ium-1,3-diol Formula: C22H23FN3O4+ MolecularWeight: 412.434123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CC[N+]4(C(=C5C=CC=CC5=C4O)O)O

Isomeric SMILES

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CC[N+]4(C(=C5C=CC=CC5=C4O)O)O

InChI

InChI=1S/C22H22FN3O4/c23-15-5-6-18-19(13-15)30-24-20(18)14-7-9-25(10-8-14)11-12-26(29)21(27)16-3-1-2-4-17(16)22(26)28/h1-6,13-14,29H,7-12H2,(H-,27,28)/p+1