1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(2,3,4,5,6-pentamethylphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C)C

InChI

InChI=1S/C20H27N3O2S/c1-14-15(2)17(4)20(18(5)16(14)3)26(24,25)23-12-10-22(11-13-23)19-8-6-7-9-21-19/h6-9H,10-13H2,1-5H3/p+1