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

Systemtic Name: [(1R)-1-(4-ethylphenyl)-2-[(phenylmethyl)carbamothioylamino]ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-(benzylcarbamothioylamino)-1-(4-ethylphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-ethylphenyl)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1R)-2-(benzylcarbamothioylamino)-1-(4-ethylphenyl)ethyl]-dimethylazanium Traditional Name: [(1R)-2-(benzylthiocarbamoylamino)-1-(4-ethylphenyl)ethyl]-dimethyl-ammonium Formula: C20H28N3S+ MolecularWeight: 342.52142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=S)NCC2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC(=S)NCC2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C20H27N3S/c1-4-16-10-12-18(13-11-16)19(23(2)3)15-22-20(24)21-14-17-8-6-5-7-9-17/h5-13,19H,4,14-15H2,1-3H3,(H2,21,22,24)/p+1/t19-/m0/s1