N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-propyl]-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetamide Formula: C25H33N3O2+2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O2/c1-21(29)24(19-23-11-6-3-7-12-23)26-25(30)20-28-17-15-27(16-18-28)14-8-13-22-9-4-2-5-10-22/h2-13,24H,14-20H2,1H3,(H,26,30)/p+2/b13-8+/t24-/m0/s1