4-(1-methyl-3-morpholin-4-ylsulfonyl-quinolin-1-ium-4-yl)morpholine; methyl sulfate

Systemtic Name: 4-(1-methyl-3-morpholin-4-ylsulfonyl-quinolin-1-ium-4-yl)morpholine; methyl sulfate Openeye Name: 4-(1-methyl-3-morpholinosulfonyl-quinolin-1-ium-4-yl)morpholine; methyl sulfate CAS Name: 4-[1-methyl-3-(4-morpholinylsulfonyl)-4-quinolin-1-iumyl]morpholine; methyl sulfate IUPAC Name: 4-(1-methyl-3-morpholin-4-ylsulfonylquinolin-1-ium-4-yl)morpholine; methyl sulfate Traditional Name: 4-(1-methyl-3-morpholinosulfonyl-quinolin-1-ium-4-yl)morpholine; methyl sulfate Formula: C19H27N3O8S2 MolecularWeight: 489.56298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C2=CC=CC=C21)N3CCOCC3)S(=O)(=O)N4CCOCC4.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC(=C(C2=CC=CC=C21)N3CCOCC3)S(=O)(=O)N4CCOCC4.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H24N3O4S.CH4O4S/c1-19-14-17(26(22,23)21-8-12-25-13-9-21)18(20-6-10-24-11-7-20)15-4-2-3-5-16(15)19;1-5-6(2,3)4/h2-5,14H,6-13H2,1H3;1H3,(H,2,3,4)/q+1;/p-1