(2S)-1-[6-chloranyl-5-(4-ethenylpyridin-2-yl)pyridin-3-yl]oxybutan-2-amine; 4-methylbenzenesulfonic acid

Systemtic Name: (2S)-1-[6-chloranyl-5-(4-ethenylpyridin-2-yl)pyridin-3-yl]oxybutan-2-amine; 4-methylbenzenesulfonic acid Openeye Name: (2S)-1-[[6-chloro-5-(4-vinyl-2-pyridyl)-3-pyridyl]oxy]butan-2-amine; 4-methylbenzenesulfonic acid CAS Name: (2S)-1-[[6-chloro-5-(4-ethenyl-2-pyridinyl)-3-pyridinyl]oxy]-2-butanamine; 4-methylbenzenesulfonic acid IUPAC Name: (2S)-1-[6-chloro-5-(4-ethenylpyridin-2-yl)pyridin-3-yl]oxybutan-2-amine; 4-methylbenzenesulfonic acid Traditional Name: [(1S)-1-[[6-chloro-5-(4-vinyl-2-pyridyl)-3-pyridyl]oxymethyl]propyl]amine; tosylic acid Formula: C30H34ClN3O7S2 MolecularWeight: 648.18986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O.2C7H8O3S/c1-3-11-5-6-19-15(7-11)14-8-13(9-20-16(14)17)21-10-12(18)4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h3,5-9,12H,1,4,10,18H2,2H3;2*2-5H,1H3,(H,8,9,10)/t12-;;/m0../s1