2-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(5-methyl-3-phenyl-isoxazole-4-carbonyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(5-methyl-3-phenyl-isoxazole-4-carbonyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4

InChI

InChI=1S/C21H26N4O4/c1-16-19(20(22-29-16)17-5-3-2-4-6-17)21(27)25-9-7-23(8-10-25)15-18(26)24-11-13-28-14-12-24/h2-6H,7-15H2,1H3/p+1