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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Formula: C21H34N4OS+2 MolecularWeight: 390.58586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C21H32N4OS/c27-21(22-9-5-11-24-16-18-26-19-17-24)25-14-12-23(13-15-25)10-4-8-20-6-2-1-3-7-20/h1-4,6-8H,5,9-19H2,(H,22,27)/p+2/b8-4+