1-(2-pyridin-2-ylethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(2-pyridin-2-ylethyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(2-pyridyl)ethyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[2-(2-pyridinyl)ethyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(2-pyridin-2-ylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-mesitylsulfonyl-4-[2-(2-pyridyl)ethyl]piperazin-4-ium Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=N3)C

InChI

InChI=1S/C20H27N3O2S/c1-16-14-17(2)20(18(3)15-16)26(24,25)23-12-10-22(11-13-23)9-7-19-6-4-5-8-21-19/h4-6,8,14-15H,7,9-13H2,1-3H3/p+1