1-[4,6-dimethyl-3-(phenylsulfonyl)pyridin-1-ium-2-yl]-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4,6-dimethyl-3-(phenylsulfonyl)pyridin-1-ium-2-yl]-4-methyl-piperazin-4-ium Openeye Name: 1-[3-(benzenesulfonyl)-4,6-dimethyl-pyridin-1-ium-2-yl]-4-methyl-piperazin-4-ium CAS Name: 1-[3-(benzenesulfonyl)-4,6-dimethyl-2-pyridin-1-iumyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[3-(benzenesulfonyl)-4,6-dimethylpyridin-1-ium-2-yl]-4-methylpiperazin-4-ium Traditional Name: 1-(3-besyl-4,6-dimethyl-pyridin-1-ium-2-yl)-4-methyl-piperazin-4-ium Formula: C18H25N3O2S+2 MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1S(=O)(=O)C2=CC=CC=C2)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1S(=O)(=O)C2=CC=CC=C2)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C18H23N3O2S/c1-14-13-15(2)19-18(21-11-9-20(3)10-12-21)17(14)24(22,23)16-7-5-4-6-8-16/h4-8,13H,9-12H2,1-3H3/p+2