N-(2-methoxyethyl)-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-(2-methoxyethyl)-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1,3-oxazole-4-carboxamide Openeye Name: 2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-N-(2-methoxyethyl)oxazole-4-carboxamide CAS Name: N-(2-methoxyethyl)-2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-(2-methoxyethyl)-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1,3-oxazole-4-carboxamide Traditional Name: 2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-N-(2-methoxyethyl)oxazole-4-carboxamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=COC(=N1)CN2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

COCCNC(=O)C1=COC(=N1)CN2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3/c1-27-15-9-22-21(26)19-17-28-20(23-19)16-25-13-11-24(12-14-25)10-5-8-18-6-3-2-4-7-18/h2-8,17H,9-16H2,1H3,(H,22,26)/p+1/b8-5+