2-oxidanylidene-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide

Systemtic Name: 2-oxidanylidene-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide Openeye Name: 6-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-2-oxo-N-[(1S)-1-(2-thienyl)ethyl]-1H-pyridine-3-carboxamide CAS Name: 2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide IUPAC Name: 2-oxo-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyridine-3-carboxamide Traditional Name: 6-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-2-keto-N-[(1S)-1-(2-thienyl)ethyl]-1H-pyridine-3-carboxamide Formula: C26H31N4O2S+ MolecularWeight: 463.61494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C2=CC=C(NC2=O)CN3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=CC=CS1)NC(=O)C2=CC=C(NC2=O)CN3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O2S/c1-20(24-10-6-18-33-24)27-25(31)23-12-11-22(28-26(23)32)19-30-16-14-29(15-17-30)13-5-9-21-7-3-2-4-8-21/h2-12,18,20H,13-17,19H2,1H3,(H,27,31)(H,28,32)/p+1/b9-5+/t20-/m0/s1