1-[[3-(3-isothiocyanatopropoxy)phenyl]methyl]piperidine

Systemtic Name: 1-[[3-(3-isothiocyanatopropoxy)phenyl]methyl]piperidine Openeye Name: 1-[[3-(3-isothiocyanatopropoxy)phenyl]methyl]piperidine CAS Name: 1-[[3-(3-isothiocyanatopropoxy)phenyl]methyl]piperidine IUPAC Name: 1-[[3-(3-isothiocyanatopropoxy)phenyl]methyl]piperidine Traditional Name: 1-[3-(3-isothiocyanatopropoxy)benzyl]piperidine Formula: C16H22N2OS MolecularWeight: 290.42368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCCCN=C=S

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCN=C=S

InChI

InChI=1S/C16H22N2OS/c20-14-17-8-5-11-19-16-7-4-6-15(12-16)13-18-9-2-1-3-10-18/h4,6-7,12H,1-3,5,8-11,13H2