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

Systemtic Name: N-(1,2-oxazol-3-ylmethyl)-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole-4-carboxamide Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(isoxazol-3-ylmethyl)oxazole-4-carboxamide CAS Name: N-(3-isoxazolylmethyl)-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(isoxazol-3-ylmethyl)oxazole-4-carboxamide Formula: C20H24N5O3+ MolecularWeight: 382.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3/c26-20(21-12-17-6-11-28-23-17)18-15-27-19(22-18)14-25-9-7-24(8-10-25)13-16-4-2-1-3-5-16/h1-6,11,15H,7-10,12-14H2,(H,21,26)/p+1