4-[(3-chlorophenyl)methyl]-N-propyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-propyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-propyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-propyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-propylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-propyl-piperazin-4-ium-1-carbothioamide Formula: C15H23ClN3S+ MolecularWeight: 312.88122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClN3S/c1-2-6-17-15(20)19-9-7-18(8-10-19)12-13-4-3-5-14(16)11-13/h3-5,11H,2,6-10,12H2,1H3,(H,17,20)/p+1