5-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)isoxazole-3-carboxamide CAS Name: 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)isoxazole-3-carboxamide Formula: C21H29ClN3O4+ MolecularWeight: 422.92566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC2=CC(=NO2)C(=O)N(C)CCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC2=CC(=NO2)C(=O)N(C)CCC[NH+]3CCOCC3

InChI

InChI=1S/C21H28ClN3O4/c1-15-11-17(12-16(2)20(15)22)28-14-18-13-19(23-29-18)21(26)24(3)5-4-6-25-7-9-27-10-8-25/h11-13H,4-10,14H2,1-3H3/p+1