4-[6-(chloromethyl)pyridin-3-yl]oxy-N,N-dimethyl-butan-2-amine; 4-methylbenzenesulfonic acid

Systemtic Name: 4-[6-(chloromethyl)pyridin-3-yl]oxy-N,N-dimethyl-butan-2-amine; 4-methylbenzenesulfonic acid Openeye Name: 4-[[6-(chloromethyl)-3-pyridyl]oxy]-N,N-dimethyl-butan-2-amine; 4-methylbenzenesulfonic acid CAS Name: 4-[[6-(chloromethyl)-3-pyridinyl]oxy]-N,N-dimethyl-2-butanamine; 4-methylbenzenesulfonic acid IUPAC Name: 4-[6-(chloromethyl)pyridin-3-yl]oxy-N,N-dimethylbutan-2-amine; 4-methylbenzenesulfonic acid Traditional Name: [3-[[6-(chloromethyl)-3-pyridyl]oxy]-1-methyl-propyl]-dimethyl-amine; tosylic acid Formula: C19H27ClN2O4S MolecularWeight: 414.94668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(CCOC1=CN=C(C=C1)CCl)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(CCOC1=CN=C(C=C1)CCl)N(C)C

InChI

InChI=1S/C12H19ClN2O.C7H8O3S/c1-10(15(2)3)6-7-16-12-5-4-11(8-13)14-9-12;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,9-10H,6-8H2,1-3H3;2-5H,1H3,(H,8,9,10)