5-[(4-ethanoyl-2-methoxy-phenoxy)methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(4-ethanoyl-2-methoxy-phenoxy)methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-[(4-acetyl-2-methoxy-phenoxy)methyl]-N-(2-piperidin-1-ium-1-ylethyl)isoxazole-3-carboxamide CAS Name: 5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-[2-(1-piperidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(4-acetyl-2-methoxyphenoxy)methyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[(4-acetyl-2-methoxy-phenoxy)methyl]-N-(2-piperidin-1-ium-1-ylethyl)isoxazole-3-carboxamide Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)NCC[NH+]3CCCCC3)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)NCC[NH+]3CCCCC3)OC

InChI

InChI=1S/C21H27N3O5/c1-15(25)16-6-7-19(20(12-16)27-2)28-14-17-13-18(23-29-17)21(26)22-8-11-24-9-4-3-5-10-24/h6-7,12-13H,3-5,8-11,14H2,1-2H3,(H,22,26)/p+1