3-[[4-(3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(m-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 3-[[4-(3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(m-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H21N3O2S/c1-16-4-2-7-19(12-16)25(23,24)22-10-8-21(9-11-22)15-18-6-3-5-17(13-18)14-20/h2-7,12-13H,8-11,15H2,1H3/p+1