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

Systemtic Name: 3-[(2,4-dimethyl-6-methylsulfonyl-phenyl)amino]-1-(methoxymethyl)-1-(3-methoxypropyl)-5-methyl-pyrazin-1-ium-2-one Openeye Name: 3-(2,4-dimethyl-6-methylsulfonyl-anilino)-1-(methoxymethyl)-1-(3-methoxypropyl)-5-methyl-pyrazin-1-ium-2-one CAS Name: 3-(2,4-dimethyl-6-methylsulfonylanilino)-1-(methoxymethyl)-1-(3-methoxypropyl)-5-methyl-2-pyrazin-1-iumone IUPAC Name: 3-(2,4-dimethyl-6-methylsulfonylanilino)-1-(methoxymethyl)-1-(3-methoxypropyl)-5-methylpyrazin-1-ium-2-one Traditional Name: 3-(2-mesyl-4,6-dimethyl-anilino)-1-(methoxymethyl)-1-(3-methoxypropyl)-5-methyl-pyrazin-1-ium-2-one Formula: C20H30N3O5S+ MolecularWeight: 424.5343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)C)NC2=NC(=C[N+](C2=O)(CCCOC)COC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)C)NC2=NC(=C[N+](C2=O)(CCCOC)COC)C)C

InChI

InChI=1S/C20H30N3O5S/c1-14-10-15(2)18(17(11-14)29(6,25)26)22-19-20(24)23(13-28-5,8-7-9-27-4)12-16(3)21-19/h10-12H,7-9,13H2,1-6H3,(H,21,22)/q+1