5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-5-(p-tolyl)isoxazole-3-carboxamide CAS Name: 5-(4-methylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-5-(p-tolyl)isoxazole-3-carboxamide Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C17H21N3O3/c1-13-2-4-14(5-3-13)16-12-15(19-23-16)17(21)18-6-7-20-8-10-22-11-9-20/h2-5,12H,6-11H2,1H3,(H,18,21)/p+1