(2S,3S)-6-ethyl-3-nitro-2-phenyl-2,3,4,5-tetrahydropyridine; 4-methylbenzenesulfonic acid

Systemtic Name: (2S,3S)-6-ethyl-3-nitro-2-phenyl-2,3,4,5-tetrahydropyridine; 4-methylbenzenesulfonic acid Openeye Name: (2S,3S)-6-ethyl-3-nitro-2-phenyl-2,3,4,5-tetrahydropyridine; 4-methylbenzenesulfonic acid CAS Name: (2S,3S)-6-ethyl-3-nitro-2-phenyl-2,3,4,5-tetrahydropyridine; 4-methylbenzenesulfonic acid IUPAC Name: (2S,3S)-6-ethyl-3-nitro-2-phenyl-2,3,4,5-tetrahydropyridine; 4-methylbenzenesulfonic acid Traditional Name: (2S,3S)-6-ethyl-3-nitro-2-phenyl-2,3,4,5-tetrahydropyridine; tosylic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(C(CC1)[N+](=O)[O-])C2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC1=N[C@H]([C@H](CC1)[N+](=O)[O-])C2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H16N2O2.C7H8O3S/c1-2-11-8-9-12(15(16)17)13(14-11)10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,12-13H,2,8-9H2,1H3;2-5H,1H3,(H,8,9,10)/t12-,13-;/m0./s1