4-[(3-chlorophenyl)methyl]-N-propan-2-yl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-propan-2-yl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-isopropyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-propan-2-yl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-isopropyl-piperazin-4-ium-1-carbothioamide Formula: C15H23ClN3S+ MolecularWeight: 312.88122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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