methanesulfonate; 1-methyl-1-phenethyl-azetidin-1-ium

Systemtic Name: methanesulfonate; 1-methyl-1-phenethyl-azetidin-1-ium Openeye Name: methanesulfonate; 1-methyl-1-phenethyl-azetidin-1-ium CAS Name: methanesulfonate; 1-methyl-1-phenethylazetidin-1-ium IUPAC Name: methanesulfonate; 1-methyl-1-phenethylazetidin-1-ium Traditional Name: 1-methyl-1-phenethyl-azetidin-1-ium mesylate Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC1)CCC2=CC=CC=C2.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCC1)CCC2=CC=CC=C2.CS(=O)(=O)[O-]

InChI

InChI=1S/C12H18N.CH4O3S/c1-13(9-5-10-13)11-8-12-6-3-2-4-7-12;1-5(2,3)4/h2-4,6-7H,5,8-11H2,1H3;1H3,(H,2,3,4)/q+1;/p-1