3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanethioamide

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanethioamide Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanethioamide CAS Name: 3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]propanethioamide IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanethioamide Traditional Name: 3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]thiopropionamide Formula: C13H19ClN3S+ MolecularWeight: 284.82806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=S)N)C2=CC(=CC=C2)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC(=S)N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H18ClN3S/c14-11-2-1-3-12(10-11)17-8-6-16(7-9-17)5-4-13(15)18/h1-3,10H,4-9H2,(H2,15,18)/p+1