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

Systemtic Name: 3-[[4-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[2-(2-chloroanilino)-2-oxo-ethyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[2-(2-chloroanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-[2-(2-chloroanilino)-2-keto-ethyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C18H30ClN5OS+2 MolecularWeight: 399.9817

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C18H28ClN5OS/c1-22(2)9-5-8-20-18(26)24-12-10-23(11-13-24)14-17(25)21-16-7-4-3-6-15(16)19/h3-4,6-7H,5,8-14H2,1-2H3,(H,20,26)(H,21,25)/p+2