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

Systemtic Name: 2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(3-pyridylmethyl)oxazole-4-carboxamide CAS Name: 2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-N-(3-pyridinylmethyl)-4-oxazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(3-pyridylmethyl)oxazole-4-carboxamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)NCC3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=CO2)C(=O)NCC3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2/c28-22(24-14-19-7-4-8-23-13-19)20-17-29-21(25-20)16-27-11-9-26(10-12-27)15-18-5-2-1-3-6-18/h1-8,13,17H,9-12,14-16H2,(H,24,28)/p+1