(2R)-1-[6-chloranyl-5-(4-ethenylpyridin-2-yl)pyridin-3-yl]oxy-N-methyl-propan-2-amine; 4-methylbenzenesulfonic acid

Systemtic Name: (2R)-1-[6-chloranyl-5-(4-ethenylpyridin-2-yl)pyridin-3-yl]oxy-N-methyl-propan-2-amine; 4-methylbenzenesulfonic acid Openeye Name: (2R)-1-[[6-chloro-5-(4-vinyl-2-pyridyl)-3-pyridyl]oxy]-N-methyl-propan-2-amine; 4-methylbenzenesulfonic acid CAS Name: (2R)-1-[[6-chloro-5-(4-ethenyl-2-pyridinyl)-3-pyridinyl]oxy]-N-methyl-2-propanamine; 4-methylbenzenesulfonic acid IUPAC Name: (2R)-1-[6-chloro-5-(4-ethenylpyridin-2-yl)pyridin-3-yl]oxy-N-methylpropan-2-amine; 4-methylbenzenesulfonic acid Traditional Name: [(1R)-2-[[6-chloro-5-(4-vinyl-2-pyridyl)-3-pyridyl]oxy]-1-methyl-ethyl]-methyl-amine; tosylic acid Formula: C23H26ClN3O4S MolecularWeight: 475.98824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(COC1=CN=C(C(=C1)C2=NC=CC(=C2)C=C)Cl)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C[C@H](COC1=CN=C(C(=C1)C2=NC=CC(=C2)C=C)Cl)NC

InChI

InChI=1S/C16H18ClN3O.C7H8O3S/c1-4-12-5-6-19-15(7-12)14-8-13(9-20-16(14)17)21-10-11(2)18-3;1-6-2-4-7(5-3-6)11(8,9)10/h4-9,11,18H,1,10H2,2-3H3;2-5H,1H3,(H,8,9,10)/t11-;/m1./s1