N-(5-methyl-1,2-oxazol-3-yl)-2-[3-morpholin-4-ium-4-ylpropyl(2-phenoxyethanoyl)amino]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[3-morpholin-4-ium-4-ylpropyl(2-phenoxyethanoyl)amino]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[3-morpholin-4-ium-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[3-(4-morpholin-4-iumyl)propyl-(1-oxo-2-phenoxyethyl)amino]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[3-morpholin-4-ium-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[3-morpholin-4-ium-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide Formula: C21H29N4O5+ MolecularWeight: 417.47876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN(CCC[NH+]2CCOCC2)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN(CCC[NH+]2CCOCC2)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O5/c1-17-14-19(23-30-17)22-20(26)15-25(9-5-8-24-10-12-28-13-11-24)21(27)16-29-18-6-3-2-4-7-18/h2-4,6-7,14H,5,8-13,15-16H2,1H3,(H,22,23,26)/p+1