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

Systemtic Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile CAS Name: 4-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]butanenitrile Traditional Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]butyronitrile Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-14-5-6-15(2)16(13-14)22(20,21)19-11-9-18(10-12-19)8-4-3-7-17/h5-6,13H,3-4,8-12H2,1-2H3/p+1