1-[2-[[2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]piperidine

Systemtic Name: 1-[2-[[2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]piperidine Openeye Name: 1-[2-[[2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]piperidine CAS Name: 1-[2-[[2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methylthio]phenyl]piperidine IUPAC Name: 1-[2-[[2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]piperidine Traditional Name: 1-[2-[[2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylthio]phenyl]piperidine Formula: C19H25N3O2S MolecularWeight: 359.4857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2SCC3COC(O3)CN4C=CN=C4

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2SCC3COC(O3)CN4C=CN=C4

InChI

InChI=1S/C19H25N3O2S/c1-4-9-22(10-5-1)17-6-2-3-7-18(17)25-14-16-13-23-19(24-16)12-21-11-8-20-15-21/h2-3,6-8,11,15-16,19H,1,4-5,9-10,12-14H2