5-[[(2R)-azetidin-1-ium-2-yl]methoxy]-2-chloranyl-pyridine; 4-methylbenzenesulfonate

Systemtic Name: 5-[[(2R)-azetidin-1-ium-2-yl]methoxy]-2-chloranyl-pyridine; 4-methylbenzenesulfonate Openeye Name: 5-[[(2R)-azetidin-1-ium-2-yl]methoxy]-2-chloro-pyridine; 4-methylbenzenesulfonate CAS Name: 5-[[(2R)-2-azetidin-1-iumyl]methoxy]-2-chloropyridine; 4-methylbenzenesulfonate IUPAC Name: 5-[[(2R)-azetidin-1-ium-2-yl]methoxy]-2-chloropyridine; 4-methylbenzenesulfonate Traditional Name: 5-[[(2R)-azetidin-1-ium-2-yl]methoxy]-2-chloro-pyridine tosylate Formula: C16H19ClN2O4S MolecularWeight: 370.85106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C[NH2+]C1COC2=CN=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C[NH2+][C@H]1COC2=CN=C(C=C2)Cl

InChI

InChI=1S/C9H11ClN2O.C7H8O3S/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5,7,11H,3-4,6H2;2-5H,1H3,(H,8,9,10)/t7-;/m1./s1