3-[(2,6-dimethyl-4-methylsulfonyl-phenyl)amino]-1-(2-methoxyethyl)-1-(methoxymethyl)-5-methyl-pyrazin-1-ium-2-one

Systemtic Name: 3-[(2,6-dimethyl-4-methylsulfonyl-phenyl)amino]-1-(2-methoxyethyl)-1-(methoxymethyl)-5-methyl-pyrazin-1-ium-2-one Openeye Name: 3-(2,6-dimethyl-4-methylsulfonyl-anilino)-1-(2-methoxyethyl)-1-(methoxymethyl)-5-methyl-pyrazin-1-ium-2-one CAS Name: 3-(2,6-dimethyl-4-methylsulfonylanilino)-1-(2-methoxyethyl)-1-(methoxymethyl)-5-methyl-2-pyrazin-1-iumone IUPAC Name: 3-(2,6-dimethyl-4-methylsulfonylanilino)-1-(2-methoxyethyl)-1-(methoxymethyl)-5-methylpyrazin-1-ium-2-one Traditional Name: 3-(4-mesyl-2,6-dimethyl-anilino)-1-(2-methoxyethyl)-1-(methoxymethyl)-5-methyl-pyrazin-1-ium-2-one Formula: C19H28N3O5S+ MolecularWeight: 410.50772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=C[N+](C2=O)(CCOC)COC)C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=C[N+](C2=O)(CCOC)COC)C)C)S(=O)(=O)C

InChI

InChI=1S/C19H28N3O5S/c1-13-9-16(28(6,24)25)10-14(2)17(13)21-18-19(23)22(12-27-5,7-8-26-4)11-15(3)20-18/h9-11H,7-8,12H2,1-6H3,(H,20,21)/q+1