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

Systemtic Name: 2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[(4-mesitylsulfonylpiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-16-12-17(2)21(18(3)13-16)27(25,26)24-10-8-23(9-11-24)15-20-7-5-4-6-19(20)14-22/h4-7,12-13H,8-11,15H2,1-3H3/p+1