[(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]-(1,4-dithiepan-6-yl)azanium

Systemtic Name: [(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]-(1,4-dithiepan-6-yl)azanium Openeye Name: [(1R)-2-(2,6-dimethylphenoxy)-1-methyl-ethyl]-(1,4-dithiepan-6-yl)ammonium CAS Name: [(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]-(1,4-dithiepan-6-yl)ammonium IUPAC Name: [(2R)-1-(2,6-dimethylphenoxy)propan-2-yl]-(1,4-dithiepan-6-yl)azanium Traditional Name: [(1R)-2-(2,6-dimethylphenoxy)-1-methyl-ethyl]-(1,4-dithiepan-6-yl)ammonium Formula: C16H26NOS2+ MolecularWeight: 312.51374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(C)[NH2+]C2CSCCSC2

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC[C@@H](C)[NH2+]C2CSCCSC2

InChI

InChI=1S/C16H25NOS2/c1-12-5-4-6-13(2)16(12)18-9-14(3)17-15-10-19-7-8-20-11-15/h4-6,14-15,17H,7-11H2,1-3H3/p+1/t14-/m1/s1