(2R)-1-(6-chloranylpyridin-3-yl)oxy-N-propyl-propan-2-amine; 4-methylbenzenesulfonic acid

Systemtic Name: (2R)-1-(6-chloranylpyridin-3-yl)oxy-N-propyl-propan-2-amine; 4-methylbenzenesulfonic acid Openeye Name: (2R)-1-[(6-chloro-3-pyridyl)oxy]-N-propyl-propan-2-amine; 4-methylbenzenesulfonic acid CAS Name: (2R)-1-[(6-chloro-3-pyridinyl)oxy]-N-propyl-2-propanamine; 4-methylbenzenesulfonic acid IUPAC Name: (2R)-1-(6-chloropyridin-3-yl)oxy-N-propylpropan-2-amine; 4-methylbenzenesulfonic acid Traditional Name: [(1R)-2-[(6-chloro-3-pyridyl)oxy]-1-methyl-ethyl]-propyl-amine; tosylic acid Formula: C18H25ClN2O4S MolecularWeight: 400.9201

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C)COC1=CN=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCN[C@H](C)COC1=CN=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H17ClN2O.C7H8O3S/c1-3-6-13-9(2)8-15-10-4-5-11(12)14-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,7,9,13H,3,6,8H2,1-2H3;2-5H,1H3,(H,8,9,10)/t9-;/m1./s1