3-[[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-[2-(2,6-dimethylanilino)-2-keto-ethyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C20H35N5OS+2 MolecularWeight: 393.5898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N5OS/c1-16-7-5-8-17(2)19(16)22-18(26)15-24-11-13-25(14-12-24)20(27)21-9-6-10-23(3)4/h5,7-8H,6,9-15H2,1-4H3,(H,21,27)(H,22,26)/p+2