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

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide Formula: C17H25ClN3OS+ MolecularWeight: 354.9179

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1C[C@@H](OC1)CNC(=S)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H24ClN3OS/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/h1,3-4,11,16H,2,5-10,12-13H2,(H,19,23)/p+1/t16-/m1/s1