4-(aminomethyl)-1-(phenylmethyl)piperidine-4-thiol; tris(fluoranyl)methanesulfonic acid

Systemtic Name: 4-(aminomethyl)-1-(phenylmethyl)piperidine-4-thiol; tris(fluoranyl)methanesulfonic acid Openeye Name: 4-(aminomethyl)-1-benzyl-piperidine-4-thiol; trifluoromethanesulfonic acid CAS Name: 4-(aminomethyl)-1-(phenylmethyl)-4-piperidinethiol; trifluoromethanesulfonic acid IUPAC Name: 4-(aminomethyl)-1-benzylpiperidine-4-thiol; trifluoromethanesulfonic acid Traditional Name: 4-(aminomethyl)-1-benzyl-piperidine-4-thiol; triflic acid Formula: C15H22F6N2O6S3 MolecularWeight: 536.530399

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CN)S)CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O

Isomeric SMILES

C1CN(CCC1(CN)S)CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)O.C(F)(F)(F)S(=O)(=O)O

InChI

InChI=1S/C13H20N2S.2CHF3O3S/c14-11-13(16)6-8-15(9-7-13)10-12-4-2-1-3-5-12;2*2-1(3,4)8(5,6)7/h1-5,16H,6-11,14H2;2*(H,5,6,7)