N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-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-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]oxazole-4-carboxamide CAS Name: N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]oxazole-4-carboxamide Formula: C22H30N6O2+2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC[N+]1=C(NC=C1)CNC(=O)C2=COC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N6O2/c1-2-28-9-8-23-20(28)14-24-22(29)19-17-30-21(25-19)16-27-12-10-26(11-13-27)15-18-6-4-3-5-7-18/h3-9,17H,2,10-16H2,1H3,(H,24,29)/p+2