1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-1-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazino]ethanone Formula: C17H28N5O5S+ MolecularWeight: 414.49972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C17H27N5O5S/c1-13-17(14(2)27-18-13)28(25,26)22-10-8-21(9-11-22)16(24)12-19-4-6-20(7-5-19)15(3)23/h4-12H2,1-3H3/p+1