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

Systemtic Name: 5-[(2-methoxy-4-methyl-phenoxy)methyl]-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-[(2-methoxy-4-methyl-phenoxy)methyl]-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)isoxazole-3-carboxamide CAS Name: 5-[(2-methoxy-4-methylphenoxy)methyl]-N-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(2-methoxy-4-methylphenoxy)methyl]-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[(2-methoxy-4-methyl-phenoxy)methyl]-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)isoxazole-3-carboxamide Formula: C21H30N3O5+ MolecularWeight: 404.48

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)N(C)CCC[NH+]3CCOCC3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)N(C)CCC[NH+]3CCOCC3)OC

InChI

InChI=1S/C21H29N3O5/c1-16-5-6-19(20(13-16)26-3)28-15-17-14-18(22-29-17)21(25)23(2)7-4-8-24-9-11-27-12-10-24/h5-6,13-14H,4,7-12,15H2,1-3H3/p+1