4-[[2,6-bis(chloranyl)phenyl]methyl]-N-(3-methoxypropyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[[2,6-bis(chloranyl)phenyl]methyl]-N-(3-methoxypropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2,6-dichlorophenyl)methyl]-N-(3-methoxypropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2,6-dichlorobenzyl)-N-(3-methoxypropyl)piperazin-4-ium-1-carbothioamide Formula: C16H24Cl2N3OS+ MolecularWeight: 377.35226

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)N1CC[NH+](CC1)CC2=C(C=CC=C2Cl)Cl

Isomeric SMILES

COCCCNC(=S)N1CC[NH+](CC1)CC2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C16H23Cl2N3OS/c1-22-11-3-6-19-16(23)21-9-7-20(8-10-21)12-13-14(17)4-2-5-15(13)18/h2,4-5H,3,6-12H2,1H3,(H,19,23)/p+1