N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-[(E)-3-phenylprop-2-enyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-1-[(E)-3-phenylprop-2-enyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(E)-cinnamyl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)triazole-4-carboxamide CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-1-[(E)-3-phenylprop-2-enyl]-4-triazolecarboxamide IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide Traditional Name: 1-[(E)-cinnamyl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)triazole-4-carboxamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CN(N=N1)CC=CC2=CC=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CN(N=N1)C/C=C/C2=CC=CC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C20H27N5O2/c1-20(2,24-11-13-27-14-12-24)16-21-19(26)18-15-25(23-22-18)10-6-9-17-7-4-3-5-8-17/h3-9,15H,10-14,16H2,1-2H3,(H,21,26)/p+1/b9-6+