ethyl 4-(4-chlorophenyl)piperidine-4-carboxylate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl 4-(4-chlorophenyl)piperidine-4-carboxylate; 4-methylbenzenesulfonic acid Openeye Name: ethyl 4-(4-chlorophenyl)piperidine-4-carboxylate; 4-methylbenzenesulfonic acid CAS Name: 4-(4-chlorophenyl)-4-piperidinecarboxylic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl 4-(4-chlorophenyl)piperidine-4-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: 4-(4-chlorophenyl)isonipecotic acid ethyl ester; tosylic acid Formula: C21H26ClNO5S MolecularWeight: 439.95284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCNCC1)C2=CC=C(C=C2)Cl.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1(CCNCC1)C2=CC=C(C=C2)Cl.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C14H18ClNO2.C7H8O3S/c1-2-18-13(17)14(7-9-16-10-8-14)11-3-5-12(15)6-4-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,16H,2,7-10H2,1H3;2-5H,1H3,(H,8,9,10)