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

Systemtic Name: N-(2-hydroxyethyl)-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide Openeye Name: 2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-N-(2-hydroxyethyl)-N-isopropyl-oxazole-4-carboxamide CAS Name: N-(2-hydroxyethyl)-2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-N-propan-2-yl-4-oxazolecarboxamide IUPAC Name: N-(2-hydroxyethyl)-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide Traditional Name: 2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-N-(2-hydroxyethyl)-N-isopropyl-oxazole-4-carboxamide Formula: C23H33N4O3+ MolecularWeight: 413.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O3/c1-19(2)27(15-16-28)23(29)21-18-30-22(24-21)17-26-13-11-25(12-14-26)10-6-9-20-7-4-3-5-8-20/h3-9,18-19,28H,10-17H2,1-2H3/p+1/b9-6+