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

Systemtic Name: 5-[(4-chloranyl-2-methoxy-phenoxy)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-[(4-chloro-2-methoxy-phenoxy)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)isoxazole-3-carboxamide CAS Name: 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(4-chloro-2-methoxyphenoxy)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[(4-chloro-2-methoxy-phenoxy)methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)isoxazole-3-carboxamide Formula: C18H23ClN3O4+ MolecularWeight: 380.84592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)OCC2=CC(=NO2)C(=O)NCC[NH+]3CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)OCC2=CC(=NO2)C(=O)NCC[NH+]3CCCC3

InChI

InChI=1S/C18H22ClN3O4/c1-24-17-10-13(19)4-5-16(17)25-12-14-11-15(21-26-14)18(23)20-6-9-22-7-2-3-8-22/h4-5,10-11H,2-3,6-9,12H2,1H3,(H,20,23)/p+1