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

Systemtic Name: 4-[(2-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(2-chlorophenyl)methyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-[(2-chlorophenyl)methyl]-N-[[(2S)-2-oxolanyl]methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(2-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-chlorobenzyl)-N-[[(2S)-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=C3Cl

Isomeric SMILES

C1C[C@H](OC1)CNC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C17H24ClN3OS/c18-16-6-2-1-4-14(16)13-20-7-9-21(10-8-20)17(23)19-12-15-5-3-11-22-15/h1-2,4,6,15H,3,5,7-13H2,(H,19,23)/p+1/t15-/m0/s1