3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CCC#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CCC#N

InChI

InChI=1S/C15H21N3O2S/c1-13-4-5-14(2)15(12-13)21(19,20)18-10-8-17(9-11-18)7-3-6-16/h4-5,12H,3,7-11H2,1-2H3/p+1