[(1R)-1-(4-ethylphenyl)-2-[(3-methoxyphenyl)carbamothioylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(4-ethylphenyl)-2-[(3-methoxyphenyl)carbamothioylamino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-ethylphenyl)-2-[(3-methoxyphenyl)carbamothioylamino]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-ethylphenyl)-2-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-ethylphenyl)-2-[(3-methoxyphenyl)carbamothioylamino]ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-ethylphenyl)-2-[(3-methoxyphenyl)thiocarbamoylamino]ethyl]-dimethyl-ammonium Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=S)NC2=CC(=CC=C2)OC)[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC(=S)NC2=CC(=CC=C2)OC)[NH+](C)C

InChI

InChI=1S/C20H27N3OS/c1-5-15-9-11-16(12-10-15)19(23(2)3)14-21-20(25)22-17-7-6-8-18(13-17)24-4/h6-13,19H,5,14H2,1-4H3,(H2,21,22,25)/p+1/t19-/m0/s1