[(1R)-1-(4-ethylphenyl)-2-(phenethylcarbamothioylamino)ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(4-ethylphenyl)-2-(phenethylcarbamothioylamino)ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-ethylphenyl)-2-(phenethylcarbamothioylamino)ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-ethylphenyl)-2-[[(phenethylamino)-sulfanylidenemethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-ethylphenyl)-2-(phenethylcarbamothioylamino)ethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-ethylphenyl)-2-(phenethylthiocarbamoylamino)ethyl]-dimethyl-ammonium Formula: C21H30N3S+ MolecularWeight: 356.548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=S)NCCC2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC(=S)NCCC2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C21H29N3S/c1-4-17-10-12-19(13-11-17)20(24(2)3)16-23-21(25)22-15-14-18-8-6-5-7-9-18/h5-13,20H,4,14-16H2,1-3H3,(H2,22,23,25)/p+1/t20-/m0/s1