4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-(4-mesitylsulfonylpiperazin-1-ium-1-yl)butyronitrile Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-14-12-15(2)17(16(3)13-14)23(21,22)20-10-8-19(9-11-20)7-5-4-6-18/h12-13H,4-5,7-11H2,1-3H3/p+1