2-[[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[2-(2-ethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[2-(2-ethylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-[2-(2-ethylanilino)-2-keto-ethyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C19H33N5OS+2 MolecularWeight: 379.56322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC[NH+](C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC[NH+](C)C

InChI

InChI=1S/C19H31N5OS/c1-4-16-7-5-6-8-17(16)21-18(25)15-23-11-13-24(14-12-23)19(26)20-9-10-22(2)3/h5-8H,4,9-15H2,1-3H3,(H,20,26)(H,21,25)/p+2