1-(phenylmethyl)piperidin-4-amine; sulfanyl 2-phenylbutanoate

Systemtic Name: 1-(phenylmethyl)piperidin-4-amine; sulfanyl 2-phenylbutanoate Openeye Name: 1-benzylpiperidin-4-amine; sulfanyl 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid mercapto ester; 1-(phenylmethyl)-4-piperidinamine IUPAC Name: 1-benzylpiperidin-4-amine; sulfanyl 2-phenylbutanoate Traditional Name: (1-benzyl-4-piperidyl)amine; 2-phenylbutyric acid mercapto ester Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OS.C1CN(CCC1N)CC2=CC=CC=C2

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OS.C1CN(CCC1N)CC2=CC=CC=C2

InChI

InChI=1S/C12H18N2.C10H12O2S/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;1-2-9(10(11)12-13)8-6-4-3-5-7-8/h1-5,12H,6-10,13H2;3-7,9,13H,2H2,1H3