4-[(2,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(2,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2,4-dichlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2,4-dichlorobenzyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-4-ium-1-carbothioamide Formula: C20H22Cl2N3O2S+ MolecularWeight: 439.37858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)Cl)Cl)C(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)Cl)Cl)C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21Cl2N3O2S/c21-15-2-1-14(17(22)11-15)13-24-5-7-25(8-6-24)20(28)23-16-3-4-18-19(12-16)27-10-9-26-18/h1-4,11-12H,5-10,13H2,(H,23,28)/p+1