4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(3,4-dichlorobenzyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Formula: C18H19Cl2N4O2S+ MolecularWeight: 426.34006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C(C=C2)Cl)Cl)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C(C=C2)Cl)Cl)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18Cl2N4O2S/c19-16-6-1-13(11-17(16)20)12-22-7-9-23(10-8-22)18(27)21-14-2-4-15(5-3-14)24(25)26/h1-6,11H,7-10,12H2,(H,21,27)/p+1