1-methyl-4-(4-methyl-3-methylsulfonyl-6-phenyl-pyridin-2-yl)piperazin-1-ium

Systemtic Name: 1-methyl-4-(4-methyl-3-methylsulfonyl-6-phenyl-pyridin-2-yl)piperazin-1-ium Openeye Name: 1-methyl-4-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridyl)piperazin-1-ium CAS Name: 1-methyl-4-(4-methyl-3-methylsulfonyl-6-phenyl-2-pyridinyl)piperazin-1-ium IUPAC Name: 1-methyl-4-(4-methyl-3-methylsulfonyl-6-phenylpyridin-2-yl)piperazin-1-ium Traditional Name: 1-(3-mesyl-4-methyl-6-phenyl-2-pyridyl)-4-methyl-piperazin-4-ium Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1S(=O)(=O)C)N2CC[NH+](CC2)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=C1S(=O)(=O)C)N2CC[NH+](CC2)C)C3=CC=CC=C3

InChI

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