methanesulfonic acid; 3-methyl-6-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-benzoxazol-2-one

Systemtic Name: methanesulfonic acid; 3-methyl-6-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-benzoxazol-2-one Openeye Name: methanesulfonic acid; 3-methyl-6-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-benzoxazol-2-one CAS Name: methanesulfonic acid; 3-methyl-6-[3-(4-methyl-4-morpholin-4-iumyl)propyl]-1,3-benzoxazol-2-one IUPAC Name: methanesulfonic acid; 3-methyl-6-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-benzoxazol-2-one Traditional Name: mesylic acid; 3-methyl-6-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-benzoxazol-2-one Formula: C17H27N2O6S+ MolecularWeight: 387.47108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CCC[N+]3(CCOCC3)C)OC1=O.CS(=O)(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)CCC[N+]3(CCOCC3)C)OC1=O.CS(=O)(=O)O

InChI

InChI=1S/C16H23N2O3.CH4O3S/c1-17-14-6-5-13(12-15(14)21-16(17)19)4-3-7-18(2)8-10-20-11-9-18;1-5(2,3)4/h5-6,12H,3-4,7-11H2,1-2H3;1H3,(H,2,3,4)/q+1;