4-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3,4-dichlorophenyl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(3,4-dichlorobenzyl)-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C15H22Cl2N3OS+ MolecularWeight: 363.32568

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N1CC[NH+](CC1)CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

COCCNC(=S)N1CC[NH+](CC1)CC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H21Cl2N3OS/c1-21-9-4-18-15(22)20-7-5-19(6-8-20)11-12-2-3-13(16)14(17)10-12/h2-3,10H,4-9,11H2,1H3,(H,18,22)/p+1