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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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