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

Systemtic Name: 2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-[2-(4-pyridyl)ethyl]oxazole-4-carboxamide CAS Name: 2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-N-(2-pyridin-4-ylethyl)-4-oxazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-[2-(4-pyridyl)ethyl]oxazole-4-carboxamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)NCCC3=CC=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)NCCC3=CC=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c29-23(25-11-8-19-6-9-24-10-7-19)21-18-30-22(26-21)17-28-14-12-27(13-15-28)16-20-4-2-1-3-5-20/h1-7,9-10,18H,8,11-17H2,(H,25,29)/p+1