N-(2-methoxyethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-methoxyethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-methoxyethyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-methoxyethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N1CC[NH+](CC1)CC=CC2=CC=CC=C2

Isomeric SMILES

COCCNC(=S)N1CC[NH+](CC1)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C17H25N3OS/c1-21-15-9-18-17(22)20-13-11-19(12-14-20)10-5-8-16-6-3-2-4-7-16/h2-8H,9-15H2,1H3,(H,18,22)/p+1/b8-5+