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

Systemtic Name: 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C12H19N4O3S+ MolecularWeight: 299.36926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CCC#N

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CCC#N

InChI

InChI=1S/C12H18N4O3S/c1-10-12(11(2)19-14-10)20(17,18)16-8-6-15(7-9-16)5-3-4-13/h3,5-9H2,1-2H3/p+1