[(1S)-1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(2-methoxyphenyl)-2-[[[2-(4-methoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylcarbamothioylamino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylthiocarbamoylamino]ethyl]-dimethyl-ammonium Formula: C21H30N3O2S+ MolecularWeight: 388.5468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NCCC1=CC=C(C=C1)OC)C2=CC=CC=C2OC

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NCCC1=CC=C(C=C1)OC)C2=CC=CC=C2OC

InChI

InChI=1S/C21H29N3O2S/c1-24(2)19(18-7-5-6-8-20(18)26-4)15-23-21(27)22-14-13-16-9-11-17(25-3)12-10-16/h5-12,19H,13-15H2,1-4H3,(H2,22,23,27)/p+1/t19-/m1/s1