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

Systemtic Name: N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[[(2R)-2-oxolanyl]methyl]-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3OS/c22-17(18-13-16-7-4-12-21-16)20-10-8-19(9-11-20)14-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H,18,22)/p+1/t16-/m1/s1