(2S,3R,6R)-6-ethyl-2-phenyl-piperidin-3-amine; 4-methylbenzenesulfonic acid

Systemtic Name: (2S,3R,6R)-6-ethyl-2-phenyl-piperidin-3-amine; 4-methylbenzenesulfonic acid Openeye Name: (2S,3R,6R)-6-ethyl-2-phenyl-piperidin-3-amine; 4-methylbenzenesulfonic acid CAS Name: (2S,3R,6R)-6-ethyl-2-phenyl-3-piperidinamine; 4-methylbenzenesulfonic acid IUPAC Name: (2S,3R,6R)-6-ethyl-2-phenylpiperidin-3-amine; 4-methylbenzenesulfonic acid Traditional Name: [(2S,3R,6R)-6-ethyl-2-phenyl-3-piperidyl]amine; tosylic acid Formula: C27H36N2O6S2 MolecularWeight: 548.71454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(C(N1)C2=CC=CC=C2)N.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC[C@@H]1CC[C@H]([C@@H](N1)C2=CC=CC=C2)N.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H20N2.2C7H8O3S/c1-2-11-8-9-12(14)13(15-11)10-6-4-3-5-7-10;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-7,11-13,15H,2,8-9,14H2,1H3;2*2-5H,1H3,(H,8,9,10)/t11-,12-,13+;;/m1../s1