2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide

Systemtic Name: 2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(3-pyrazol-1-ylpropyl)oxazole-4-carboxamide CAS Name: 2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-N-[3-(1-pyrazolyl)propyl]-4-oxazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(3-pyrazol-1-ylpropyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(3-pyrazol-1-ylpropyl)oxazole-4-carboxamide Formula: C22H29N6O2+ MolecularWeight: 409.50466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)NCCCN3C=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)NCCCN3C=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N6O2/c29-22(23-8-4-10-28-11-5-9-24-28)20-18-30-21(25-20)17-27-14-12-26(13-15-27)16-19-6-2-1-3-7-19/h1-3,5-7,9,11,18H,4,8,10,12-17H2,(H,23,29)/p+1