2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C#N)C

InChI

InChI=1S/C20H23N3O2S/c1-16-7-8-20(13-17(16)2)26(24,25)23-11-9-22(10-12-23)15-19-6-4-3-5-18(19)14-21/h3-8,13H,9-12,15H2,1-2H3/p+1