2-[(2-fluorophenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-benzoxazole-6-carboxamide

Systemtic Name: 2-[(2-fluorophenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-benzoxazole-6-carboxamide Openeye Name: 2-[(2-fluorophenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-benzoxazole-6-carboxamide CAS Name: 2-[(2-fluorophenyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-1,3-benzoxazole-6-carboxamide IUPAC Name: 2-[(2-fluorophenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-benzoxazole-6-carboxamide Traditional Name: 2-(2-fluorobenzyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-benzoxazole-6-carboxamide Formula: C22H25FN3O3+ MolecularWeight: 398.450603

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC=CC=C4F

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC=CC=C4F

InChI

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