1-(pyridin-2-ylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(pyridin-2-ylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(2-pyridylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2-pyridinylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(pyridin-2-ylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-pyridylmethyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=N3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=N3)C)C

InChI

InChI=1S/C20H27N3O2S/c1-15-13-16(2)18(4)20(17(15)3)26(24,25)23-11-9-22(10-12-23)14-19-7-5-6-8-21-19/h5-8,13H,9-12,14H2,1-4H3/p+1