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

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-(2-morpholin-4-ium-4-ylethyl)piperazin-4-ium-1-carbothioamide Formula: C20H32N4OS+2 MolecularWeight: 376.55928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4OS/c26-20(21-8-10-23-15-17-25-18-16-23)24-13-11-22(12-14-24)9-4-7-19-5-2-1-3-6-19/h1-7H,8-18H2,(H,21,26)/p+2/b7-4+