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

Systemtic Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]isoxazole-3-carboxamide CAS Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[[1-(4-morpholin-4-iumyl)cyclopentyl]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]isoxazole-3-carboxamide Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=CC(=NO2)C(=O)NCC3(CCCC3)[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=CC(=NO2)C(=O)NCC3(CCCC3)[NH+]4CCOCC4)C

InChI

InChI=1S/C23H31N3O4/c1-17-5-6-19(13-18(17)2)29-15-20-14-21(25-30-20)22(27)24-16-23(7-3-4-8-23)26-9-11-28-12-10-26/h5-6,13-14H,3-4,7-12,15-16H2,1-2H3,(H,24,27)/p+1