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

Systemtic Name: 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide Openeye Name: 2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-N-(2-pyrazol-1-ylethyl)oxazole-4-carboxamide CAS Name: 2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-N-[2-(1-pyrazolyl)ethyl]-4-oxazolecarboxamide IUPAC Name: 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-N-(2-pyrazol-1-ylethyl)oxazole-4-carboxamide Formula: C23H29N6O2+ MolecularWeight: 421.51536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=NC(=CO3)C(=O)NCCN4C=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=NC(=CO3)C(=O)NCCN4C=CC=N4

InChI

InChI=1S/C23H28N6O2/c30-23(24-10-13-29-12-5-9-25-29)21-19-31-22(26-21)18-28-16-14-27(15-17-28)11-4-8-20-6-2-1-3-7-20/h1-9,12,19H,10-11,13-18H2,(H,24,30)/p+1/b8-4+