N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-[(2S)-3-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-[(2S)-3-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2S)-1-[(E)-cinnamyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)acetamide CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2S)-1-[(E)-cinnamyl]-3-keto-piperazin-1-ium-2-yl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)acetamide Formula: C23H36N4O3+2 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CC1C(=O)NCC[NH+]1CC=CC2=CC=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C[C@H]1C(=O)NCC[NH+]1C/C=C/C2=CC=CC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C23H34N4O3/c1-23(2,27-13-15-30-16-14-27)18-25-21(28)17-20-22(29)24-10-12-26(20)11-6-9-19-7-4-3-5-8-19/h3-9,20H,10-18H2,1-2H3,(H,24,29)(H,25,28)/p+2/b9-6+/t20-/m0/s1