2-[(2-fluorophenyl)methyl]-N-[2-(4-oxidanylpiperidin-1-ium-1-yl)ethyl]-1,3-benzoxazole-6-carboxamide

Systemtic Name: 2-[(2-fluorophenyl)methyl]-N-[2-(4-oxidanylpiperidin-1-ium-1-yl)ethyl]-1,3-benzoxazole-6-carboxamide Openeye Name: 2-[(2-fluorophenyl)methyl]-N-[2-(4-hydroxypiperidin-1-ium-1-yl)ethyl]-1,3-benzoxazole-6-carboxamide CAS Name: 2-[(2-fluorophenyl)methyl]-N-[2-(4-hydroxy-1-piperidin-1-iumyl)ethyl]-1,3-benzoxazole-6-carboxamide IUPAC Name: 2-[(2-fluorophenyl)methyl]-N-[2-(4-hydroxypiperidin-1-ium-1-yl)ethyl]-1,3-benzoxazole-6-carboxamide Traditional Name: 2-(2-fluorobenzyl)-N-[2-(4-hydroxypiperidin-1-ium-1-yl)ethyl]-1,3-benzoxazole-6-carboxamide Formula: C22H25FN3O3+ MolecularWeight: 398.450603

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CCNC(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC=CC=C4F

Isomeric SMILES

C1C[NH+](CCC1O)CCNC(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC=CC=C4F

InChI

InChI=1S/C22H24FN3O3/c23-18-4-2-1-3-15(18)14-21-25-19-6-5-16(13-20(19)29-21)22(28)24-9-12-26-10-7-17(27)8-11-26/h1-6,13,17,27H,7-12,14H2,(H,24,28)/p+1