dimethyl-[[4-[[[(2R)-oxolan-2-yl]methylcarbamothioylamino]methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[[[(2R)-oxolan-2-yl]methylcarbamothioylamino]methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[[[(2R)-oxolan-2-yl]methylcarbamothioylamino]methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[4-[[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoylamino]methyl]benzyl]ammonium Formula: C16H26N3OS+ MolecularWeight: 308.46214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=S)NCC2CCCO2

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=S)NC[C@H]2CCCO2

InChI

InChI=1S/C16H25N3OS/c1-19(2)12-14-7-5-13(6-8-14)10-17-16(21)18-11-15-4-3-9-20-15/h5-8,15H,3-4,9-12H2,1-2H3,(H2,17,18,21)/p+1/t15-/m1/s1