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

Systemtic Name: 4-methylbenzenesulfonic acid; (2S,3S)-6-methyl-3-nitro-2-phenyl-2,3,4,5-tetrahydropyridine Openeye Name: 4-methylbenzenesulfonic acid; (2S,3S)-6-methyl-3-nitro-2-phenyl-2,3,4,5-tetrahydropyridine CAS Name: 4-methylbenzenesulfonic acid; (2S,3S)-6-methyl-3-nitro-2-phenyl-2,3,4,5-tetrahydropyridine IUPAC Name: 4-methylbenzenesulfonic acid; (2S,3S)-6-methyl-3-nitro-2-phenyl-2,3,4,5-tetrahydropyridine Traditional Name: (2S,3S)-6-methyl-3-nitro-2-phenyl-2,3,4,5-tetrahydropyridine; tosylic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=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/C12H14N2O2.C7H8O3S/c1-9-7-8-11(14(15)16)12(13-9)10-5-3-2-4-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,11-12H,7-8H2,1H3;2-5H,1H3,(H,8,9,10)/t11-,12-;/m0./s1