3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethylisoxazol-4-yl)-1-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)-1-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethylisoxazol-4-yl)-1-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C18H29N4O4+ MolecularWeight: 365.44726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C18H28N4O4/c1-14-16(15(2)26-19-14)3-4-17(23)21-7-5-20(6-8-21)13-18(24)22-9-11-25-12-10-22/h3-13H2,1-2H3/p+1