3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CCC#N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CCC#N)C)C

InChI

InChI=1S/C17H25N3O2S/c1-13-12-14(2)16(4)17(15(13)3)23(21,22)20-10-8-19(9-11-20)7-5-6-18/h12H,5,7-11H2,1-4H3/p+1