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

Systemtic Name: 1-morpholin-4-yl-2-[4-[(3-phenyl-2,1-benzoxazol-5-yl)carbonyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-morpholino-2-[4-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(4-morpholinyl)-2-[4-[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-morpholin-4-yl-2-[4-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-morpholino-2-[4-(3-phenylanthranil-5-carbonyl)piperazin-1-ium-1-yl]ethanone Formula: C24H27N4O4+ MolecularWeight: 435.49558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C24H26N4O4/c29-22(27-12-14-31-15-13-27)17-26-8-10-28(11-9-26)24(30)19-6-7-21-20(16-19)23(32-25-21)18-4-2-1-3-5-18/h1-7,16H,8-15,17H2/p+1