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

Systemtic Name: methanesulfonate; 3-methyl-6-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-benzoxazol-2-one Openeye Name: methanesulfonate; 3-methyl-6-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-benzoxazol-2-one CAS Name: methanesulfonate; 3-methyl-6-[3-(4-methyl-4-morpholin-4-iumyl)propyl]-1,3-benzoxazol-2-one IUPAC Name: methanesulfonate; 3-methyl-6-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-benzoxazol-2-one Traditional Name: 3-methyl-6-[3-(4-methylmorpholin-4-ium-4-yl)propyl]-1,3-benzoxazol-2-one mesylate Formula: C17H26N2O6S MolecularWeight: 386.46314

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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;/p-1