2-(3-fluorophenyl)-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1,3-benzoxazole-5-carboxamide

Systemtic Name: 2-(3-fluorophenyl)-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1,3-benzoxazole-5-carboxamide Openeye Name: 2-(3-fluorophenyl)-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1,3-benzoxazole-5-carboxamide CAS Name: 2-(3-fluorophenyl)-N-methyl-N-[2-(1-piperidin-1-iumyl)ethyl]-1,3-benzoxazole-5-carboxamide IUPAC Name: 2-(3-fluorophenyl)-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1,3-benzoxazole-5-carboxamide Traditional Name: 2-(3-fluorophenyl)-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1,3-benzoxazole-5-carboxamide Formula: C22H25FN3O2+ MolecularWeight: 382.451203

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC[NH+]1CCCCC1)C(=O)C2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)F

Isomeric SMILES

CN(CC[NH+]1CCCCC1)C(=O)C2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H24FN3O2/c1-25(12-13-26-10-3-2-4-11-26)22(27)17-8-9-20-19(15-17)24-21(28-20)16-6-5-7-18(23)14-16/h5-9,14-15H,2-4,10-13H2,1H3/p+1