N-[[(2S)-oxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[[(2S)-oxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-[[(2S)-2-oxolanyl]methyl]-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-[[(2S)-oxolan-2-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbothioamide Formula: C19H28N3OS+ MolecularWeight: 346.51012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3OS/c24-19(20-16-18-9-5-15-23-18)22-13-11-21(12-14-22)10-4-8-17-6-2-1-3-7-17/h1-4,6-8,18H,5,9-16H2,(H,20,24)/p+1/b8-4+/t18-/m0/s1