[1-(diphenylmethyl)-1-methyl-azetidin-1-ium-3-yl] methanesulfonate; methanesulfonate

Systemtic Name: [1-(diphenylmethyl)-1-methyl-azetidin-1-ium-3-yl] methanesulfonate; methanesulfonate Openeye Name: (1-benzhydryl-1-methyl-azetidin-1-ium-3-yl) methanesulfonate; methanesulfonate CAS Name: methanesulfonate; methanesulfonic acid [1-(diphenylmethyl)-1-methyl-3-azetidin-1-iumyl] ester IUPAC Name: (1-benzhydryl-1-methylazetidin-1-ium-3-yl) methanesulfonate; methanesulfonate Traditional Name: methanesulfonic acid (1-benzhydryl-1-methyl-azetidin-1-ium-3-yl) ester mesylate Formula: C19H25NO6S2 MolecularWeight: 427.5349

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(C1)OS(=O)(=O)C)C(C2=CC=CC=C2)C3=CC=CC=C3.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CC(C1)OS(=O)(=O)C)C(C2=CC=CC=C2)C3=CC=CC=C3.CS(=O)(=O)[O-]

InChI

InChI=1S/C18H22NO3S.CH4O3S/c1-19(13-17(14-19)22-23(2,20)21)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-5(2,3)4/h3-12,17-18H,13-14H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1