2-[[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-[2-(2,6-dimethylanilino)-2-keto-ethyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethyl-ammonium Formula: C19H33N5OS+2 MolecularWeight: 379.56322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=S)NCC[NH+](C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=S)NCC[NH+](C)C

InChI

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