1-[2-(3,4-dimethoxyphenyl)ethyl]azetidin-3-ol; methanesulfonate

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]azetidin-3-ol; methanesulfonate Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]azetidin-3-ol; methanesulfonate CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-azetidinol; methanesulfonate IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]azetidin-3-ol; methanesulfonate Traditional Name: 1-homoveratrylazetidin-3-ol mesylate Formula: C14H22NO6S- MolecularWeight: 332.39258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CC(C2)O)OC.CS(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC(C2)O)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C13H19NO3.CH4O3S/c1-16-12-4-3-10(7-13(12)17-2)5-6-14-8-11(15)9-14;1-5(2,3)4/h3-4,7,11,15H,5-6,8-9H2,1-2H3;1H3,(H,2,3,4)/p-1