3,5-bis(chloranyl)-4-methyl-4-(4-methylsulfonylphenoxy)-1-phenyl-1,2,4-triazinan-4-ium

Systemtic Name: 3,5-bis(chloranyl)-4-methyl-4-(4-methylsulfonylphenoxy)-1-phenyl-1,2,4-triazinan-4-ium Openeye Name: 3,5-dichloro-4-methyl-4-(4-methylsulfonylphenoxy)-1-phenyl-1,2,4-triazinan-4-ium CAS Name: 3,5-dichloro-4-methyl-4-(4-methylsulfonylphenoxy)-1-phenyl-1,2,4-triazinan-4-ium IUPAC Name: 3,5-dichloro-4-methyl-4-(4-methylsulfonylphenoxy)-1-phenyl-1,2,4-triazinan-4-ium Traditional Name: 3,5-dichloro-4-(4-mesylphenoxy)-4-methyl-1-phenyl-1,2,4-triazinan-4-ium Formula: C17H20Cl2N3O3S+ MolecularWeight: 417.33

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(CN(NC1Cl)C2=CC=CC=C2)Cl)OC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

C[N+]1(C(CN(NC1Cl)C2=CC=CC=C2)Cl)OC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H20Cl2N3O3S/c1-22(25-14-8-10-15(11-9-14)26(2,23)24)16(18)12-21(20-17(22)19)13-6-4-3-5-7-13/h3-11,16-17,20H,12H2,1-2H3/q+1