4-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-(2-furylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-(2-furanylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-(2-furfuryl)piperazin-4-ium-1-carbothioamide Formula: C17H21ClN3OS+ MolecularWeight: 350.88614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=S)NCC3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C17H20ClN3OS/c18-15-4-1-3-14(11-15)13-20-6-8-21(9-7-20)17(23)19-12-16-5-2-10-22-16/h1-5,10-11H,6-9,12-13H2,(H,19,23)/p+1