4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Openeye Name: 4-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide CAS Name: 4-[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]-N-[3-(4-morpholin-4-iumyl)propyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Traditional Name: 4-(5-methyl-3-phenyl-isoxazole-4-carbonyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1H-pyrrole-2-carboxamide Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)C3=CNC(=C3)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)C3=CNC(=C3)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C23H26N4O4/c1-16-20(21(26-31-16)17-6-3-2-4-7-17)22(28)18-14-19(25-15-18)23(29)24-8-5-9-27-10-12-30-13-11-27/h2-4,6-7,14-15,25H,5,8-13H2,1H3,(H,24,29)/p+1