5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)isoxazole-3-carboxamide CAS Name: 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[4-(4-morpholin-4-iumyl)butyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-morpholin-4-ium-4-ylbutyl)isoxazole-3-carboxamide Formula: C22H32N3O4+ MolecularWeight: 402.50718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4/c1-17-6-7-19(14-18(17)2)28-16-20-15-21(23-29-20)22(26)24(3)8-4-5-9-25-10-12-27-13-11-25/h6-7,14-15H,4-5,8-13,16H2,1-3H3/p+1