(3S,4R)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate; 4-methylbenzenesulfonic acid

Systemtic Name: (3S,4R)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate; 4-methylbenzenesulfonic acid Openeye Name: (3S,4R)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate; 4-methylbenzenesulfonic acid CAS Name: (3S,4R)-3-methoxy-4-(1-phenylethylamino)-1-piperidinecarboxylate; 4-methylbenzenesulfonic acid IUPAC Name: (3S,4R)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: (3S,4R)-3-methoxy-4-(1-phenylethylamino)piperidine-1-carboxylate; tosylic acid Formula: C22H29N2O6S- MolecularWeight: 449.54046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C1=CC=CC=C1)NC2CCN(CC2OC)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C1=CC=CC=C1)N[C@@H]2CCN(C[C@@H]2OC)C(=O)[O-]

InChI

InChI=1S/C15H22N2O3.C7H8O3S/c1-11(12-6-4-3-5-7-12)16-13-8-9-17(15(18)19)10-14(13)20-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,11,13-14,16H,8-10H2,1-2H3,(H,18,19);2-5H,1H3,(H,8,9,10)/p-1/t11?,13-,14+;/m1./s1